5-methylhex-2-en-1-ol

C7H14O — CID 12538351

IUPAC5-methylhex-2-en-1-ol
SMILESCC(C)CC=CCO
InChIInChI=1S/C7H14O/c1-7(2)5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRISNXWHRJFCCNQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About 5-methylhex-2-en-1-ol

5-methylhex-2-en-1-ol (PubChem CID 12538351) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name5-methylhex-2-en-1-ol
PubChem CID12538351
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name5-methylhex-2-en-1-ol
SMILESCC(C)CC=CCO
InChIInChI=1S/C7H14O/c1-7(2)5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyRISNXWHRJFCCNQ-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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Frequently Asked Questions

What is the IUPAC name of 5-methylhex-2-en-1-ol?
The IUPAC name of 5-methylhex-2-en-1-ol (CID 12538351) is 5-methylhex-2-en-1-ol.
What is the SMILES notation for 5-methylhex-2-en-1-ol?
The canonical SMILES for 5-methylhex-2-en-1-ol is CC(C)CC=CCO.
What is the InChIKey of 5-methylhex-2-en-1-ol?
The InChIKey is RISNXWHRJFCCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2)5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-methylhex-2-en-1-ol?
5-methylhex-2-en-1-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-2-en-1-ol is sourced from PubChem (CID 12538351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).