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Basic information
- CAS
26005-41-4- Standard SMILES
C#CC1(O)C(C)CCCC1(C)C- InChIKey
PQQOQXUYGRGYEK-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Overview
See also: Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, trans- (annotation moved to).
Names & identifiers
- Preferred name
- Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-
- IUPAC
- 1-ethynyl-2,2,6-trimethylcyclohexan-1-ol
Names & synonyms
1-ethynyl-2,2,6-trimethylcyclohexanol41613-59-61-ethynyl-2,2,6-trimethylcyclohexan-1-olCyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-Cyclohexanol, 1-ethynyl-2,2,6-trimethyl-26005-41-4MFCD00798600EINECS 247-405-0trans-1-Ethynyl-2,2,6-trimethylcyclohexan-1-olSCHEMBL5693775SBB058477AKOS006220438
Show more names
1-ethynyl-2,2,6-trimethyl-cyclohexanolNS00028017ST50407217
Database identifiers
- CAS
26005-41-4- PubChem CID
- 117290
- EC Number
- 247-405-0
- Nikkaji
- J736.935B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 1-ethynyl-2,2,6-trimethyl-, (1R,6S)-rel-: INACTIVE
Suppliers6 total
重庆诺森医药有限公司15310618205 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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