5-methylhex-1-en-3-ol

C7H14O — CID 5314815

IUPAC5-methylhex-1-en-3-ol
SMILESC=CC(O)CC(C)C
InChIInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h4,6-8H,1,5H2,2-3H3
InChIKeyAZAKXXGZWJWZLN-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About 5-methylhex-1-en-3-ol

5-methylhex-1-en-3-ol (PubChem CID 5314815) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 5-methylhex-1-en-3-ol.

Molecular Properties

Compound Name5-methylhex-1-en-3-ol
PubChem CID5314815
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name5-methylhex-1-en-3-ol
SMILESC=CC(O)CC(C)C
InChIInChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h4,6-8H,1,5H2,2-3H3
InChIKeyAZAKXXGZWJWZLN-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hexen-3-Ol
CID 20928
4-Methyl-1-penten-3-ol
CID 20929
(3R)-1-hexen-3-ol
CID 6992421
2-Methyl-5-hexen-3-ol
CID 141746
Hepta-1,6-dien-3-ol
CID 11083858
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
6-Methylhept-2-en-4-ol
CID 6506618
S-Rhynchophorol
CID 11105387
5-Methyl-1,5-hexadien-3-ol
CID 140186
2,4-Dimethyl-1-penten-3-ol
CID 140606
4-Methyl-5-hexen-3-ol
CID 12496406
4-Methyl-6-hepten-3-ol
CID 547700

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-1-en-3-ol?
The IUPAC name of 5-methylhex-1-en-3-ol (CID 5314815) is 5-methylhex-1-en-3-ol.
What is the SMILES notation for 5-methylhex-1-en-3-ol?
The canonical SMILES for 5-methylhex-1-en-3-ol is C=CC(O)CC(C)C.
What is the InChIKey of 5-methylhex-1-en-3-ol?
The InChIKey is AZAKXXGZWJWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 5-methylhex-1-en-3-ol?
5-methylhex-1-en-3-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-1-en-3-ol is sourced from PubChem (CID 5314815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).