2-methylhept-4-en-3-ol

C8H16O — CID 54499499

IUPAC2-methylhept-4-en-3-ol
SMILESCCC=CC(O)C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3
InChIKeyGGZRDVFZOLYVME-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About 2-methylhept-4-en-3-ol

2-methylhept-4-en-3-ol (PubChem CID 54499499) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methylhept-4-en-3-ol.

Molecular Properties

Compound Name2-methylhept-4-en-3-ol
PubChem CID54499499
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methylhept-4-en-3-ol
SMILESCCC=CC(O)C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3
InChIKeyGGZRDVFZOLYVME-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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-methylhept-4-en-3-ol?
The IUPAC name of 2-methylhept-4-en-3-ol (CID 54499499) is 2-methylhept-4-en-3-ol.
What is the SMILES notation for 2-methylhept-4-en-3-ol?
The canonical SMILES for 2-methylhept-4-en-3-ol is CCC=CC(O)C(C)C.
What is the InChIKey of 2-methylhept-4-en-3-ol?
The InChIKey is GGZRDVFZOLYVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-methylhept-4-en-3-ol?
2-methylhept-4-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-4-en-3-ol is sourced from PubChem (CID 54499499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).