디이소프로필3,3-디메톡시시클로부탄-1,1-디카르복실레이트

1,1-Bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate

HCID 4913359CAS 115118-68-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1(OC)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1
InChIKey: SZJMXTBKYMLPTJ-UHFFFAOYSA-N
분자식: C14H24O6
평균 분자량: 288.34 g/mol
단동위원소 질량: 288.15728849

이름 및 식별자

우선 이름: 1,1-Bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate
IUPAC: dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
현지명: 디이소프로필3,3-디메톡시시클로부탄-1,1-디카르복실레이트
영어명: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
분자식: C14H24O6
분자량: 288.34

이름 및 동의어

1,1-bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylateRefChem:409719963-225-1115118-68-8Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylateMFCD06742779dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate1,1-CYCLOBUTANEDICARBOXYLIC ACID, 3,3-DIMETHOXY-, 1,1-BIS(1-METHYLETHYL) ESTERAG120 Intermediates;AG120 Intermediates3,3-Dimethoxy-cyclobutane-1,1-dicarboxylic acid diisopropyl esterSZJMXTBKYMLPTJ-UHFFFAOYSA-NSCHEMBL401326

이름 더 보기

디이소프로필3,3-디메톡시시클로부탄-1,1-디카르복실레이트1,1-bis(propan-2-yL) 3,3-dimethoxycycLDiisopropyl 3,3-dimethoxy...DIISOPROPYL 3,3-DIMETHOXYCYCLOBUTANEDiisopropy1 3,3-dimethoxycrc1obutane-1Diisopyl 3,3dimethoxycyclobutane-1,1-dicarboxylateiisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylateDiisopropyl 3,3-dimethoxy-cyclobutane-1,1-dicaboxylate

diisopropyl3,3-dimethoxycyclobutane-1,1-dicarboxylateDTXSID80406768AKOS000320045PB17382AC-29200AS-33464SY047986CS-0052773

데이터베이스 식별자

CAS: 115118-68-8
PubChem CID: 4913359
DTXSID: DTXSID80406768
EC Number: 963-225-1
Nikkaji: J1.381.192J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 338

물리화학적 성질

끓는 점: 92 · 92-94℃ (0.01 Torr)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C14H24O6/c1-9(2)19-11(15)13(12(16)20-10(3)4)7-14(8-13,17-5)18-6/h9-10H,7-8H2,1-6H3
InChIKey: SZJMXTBKYMLPTJ-UHFFFAOYSA-N
SMILES: C1(CC(C(OC(C)C)=O)(C1)C(OC(C)C)=O)(OC)OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.