2,5-dimethylhexa-1,5-dien-3-ol

C8H14O — CID 551242

IUPAC2,5-dimethylhexa-1,5-dien-3-ol
SMILESC=C(C)CC(O)C(=C)C
InChIInChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h8-9H,1,3,5H2,2,4H3
InChIKeyQQMFDURNWCUKNS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About 2,5-dimethylhexa-1,5-dien-3-ol

2,5-dimethylhexa-1,5-dien-3-ol (PubChem CID 551242) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,5-dimethylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name2,5-dimethylhexa-1,5-dien-3-ol
PubChem CID551242
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,5-dimethylhexa-1,5-dien-3-ol
SMILESC=C(C)CC(O)C(=C)C
InChIInChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h8-9H,1,3,5H2,2,4H3
InChIKeyQQMFDURNWCUKNS-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexa-1,5-dien-3-ol?
The IUPAC name of 2,5-dimethylhexa-1,5-dien-3-ol (CID 551242) is 2,5-dimethylhexa-1,5-dien-3-ol.
What is the SMILES notation for 2,5-dimethylhexa-1,5-dien-3-ol?
The canonical SMILES for 2,5-dimethylhexa-1,5-dien-3-ol is C=C(C)CC(O)C(=C)C.
What is the InChIKey of 2,5-dimethylhexa-1,5-dien-3-ol?
The InChIKey is QQMFDURNWCUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h8-9H,1,3,5H2,2,4H3.
What are the key properties of 2,5-dimethylhexa-1,5-dien-3-ol?
2,5-dimethylhexa-1,5-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexa-1,5-dien-3-ol is sourced from PubChem (CID 551242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).