2-methylhept-6-en-2-ol

C8H16O — CID 12712367

IUPAC2-methylhept-6-en-2-ol
SMILESC=CCCCC(C)(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7-8(2,3)9/h4,9H,1,5-7H2,2-3H3
InChIKeyYZHZVFQOTFXKJK-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds4

About 2-methylhept-6-en-2-ol

2-methylhept-6-en-2-ol (PubChem CID 12712367) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methylhept-6-en-2-ol.

Molecular Properties

Compound Name2-methylhept-6-en-2-ol
PubChem CID12712367
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methylhept-6-en-2-ol
SMILESC=CCCCC(C)(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7-8(2,3)9/h4,9H,1,5-7H2,2-3H3
InChIKeyYZHZVFQOTFXKJK-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylhept-6-en-2-ol?
The IUPAC name of 2-methylhept-6-en-2-ol (CID 12712367) is 2-methylhept-6-en-2-ol.
What is the SMILES notation for 2-methylhept-6-en-2-ol?
The canonical SMILES for 2-methylhept-6-en-2-ol is C=CCCCC(C)(C)O.
What is the InChIKey of 2-methylhept-6-en-2-ol?
The InChIKey is YZHZVFQOTFXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-7-8(2,3)9/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 2-methylhept-6-en-2-ol?
2-methylhept-6-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-6-en-2-ol is sourced from PubChem (CID 12712367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).