2,4-dimethylhexa-4,5-dien-3-ol

C8H14O — CID 12651498

IUPAC2,4-dimethylhexa-4,5-dien-3-ol
SMILESC=C=C(C)C(O)C(C)C
InChIInChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h6,8-9H,1H2,2-4H3
InChIKeyVBINMCIUZAAGFF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds2

About 2,4-dimethylhexa-4,5-dien-3-ol

2,4-dimethylhexa-4,5-dien-3-ol (PubChem CID 12651498) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,4-dimethylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name2,4-dimethylhexa-4,5-dien-3-ol
PubChem CID12651498
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,4-dimethylhexa-4,5-dien-3-ol
SMILESC=C=C(C)C(O)C(C)C
InChIInChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h6,8-9H,1H2,2-4H3
InChIKeyVBINMCIUZAAGFF-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexa-4,5-dien-3-ol?
The IUPAC name of 2,4-dimethylhexa-4,5-dien-3-ol (CID 12651498) is 2,4-dimethylhexa-4,5-dien-3-ol.
What is the SMILES notation for 2,4-dimethylhexa-4,5-dien-3-ol?
The canonical SMILES for 2,4-dimethylhexa-4,5-dien-3-ol is C=C=C(C)C(O)C(C)C.
What is the InChIKey of 2,4-dimethylhexa-4,5-dien-3-ol?
The InChIKey is VBINMCIUZAAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(4)8(9)6(2)3/h6,8-9H,1H2,2-4H3.
What are the key properties of 2,4-dimethylhexa-4,5-dien-3-ol?
2,4-dimethylhexa-4,5-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexa-4,5-dien-3-ol is sourced from PubChem (CID 12651498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).