3,5-Dimethyl-1,6-heptadien-4-ol

HCID 537207
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
19549-66-7
Standard SMILES
C=CC(C)C(O)C(C)C=C
InChIKey
KWGWLNMCSACDHC-UHFFFAOYSA-N
Molecular formula
C9H16O
Average molar mass
140.22 g/mol
Monoisotopic mass
140.12011513

Names & identifiers

Preferred name
3,5-Dimethyl-1,6-heptadien-4-ol
IUPAC
3,5-dimethylhepta-1,6-dien-4-ol
English name
3,5-Dimethyl-1,6-heptadien-4-ol
Molecular formula
C9H16O
Molecular weight
140.22

Names & synonyms

3,5-Dimethyl-1,6-heptadien-4-ol19549-66-7DTXSID90336906RefChem:271861DTXCID40287994KWGWLNMCSACDHC-UHFFFAOYSA-N3,5-dimethylhepta-1,6-dien-4-olSCHEMBL83752273,5-dimethyl-1,6-heptadiene-4-olAKOS006230489DB-044904BIS(1-METHYLALLYL)CARBINOL
Show more names
3,5- Dimethyl-1,6-heptaden-4-ol1,6-Heptadien-4-ol, 3,5-dimethyl-3,5-DIMETHYL-1,6-HEPTADIEN-4-OL 97%3,5-Dimethyl-1,6-heptadien-4-ol, tech., 80%

Database identifiers

CAS
19549-66-7
PubChem CID
537207
DTXSID
DTXSID90336906

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Boiling point
195.8 · 195.8±9.0 °C(Predicted)
Density
0.845 · 0.845±0.06 g/cm3(Predicted)
pka
14.45 · 14.45±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers9 total

ABCR[email protected]
HONEST JOY HOLDINGS LIMITED[email protected]
Carbone Scientific CO., LTD[email protected]
VWR[email protected]
CHEMSAMPCO[email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…