6-methylhept-6-en-2-ol

C8H16O — CID 11240490

IUPAC6-methylhept-6-en-2-ol
SMILESC=C(C)CCCC(C)O
InChIInChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h8-9H,1,4-6H2,2-3H3
InChIKeyHRFFUHAMURPXKM-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.11
Rot. Bonds4

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

6-methylhept-6-en-2-ol (PubChem CID 11240490) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 6-methylhept-6-en-2-ol.

Molecular Properties

Compound Name6-methylhept-6-en-2-ol
PubChem CID11240490
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name6-methylhept-6-en-2-ol
SMILESC=C(C)CCCC(C)O
InChIInChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h8-9H,1,4-6H2,2-3H3
InChIKeyHRFFUHAMURPXKM-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 ≤ 500128.22
LogP ≤ 52.11
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 6-methylhept-6-en-2-ol?
The IUPAC name of 6-methylhept-6-en-2-ol (CID 11240490) is 6-methylhept-6-en-2-ol.
What is the SMILES notation for 6-methylhept-6-en-2-ol?
The canonical SMILES for 6-methylhept-6-en-2-ol is C=C(C)CCCC(C)O.
What is the InChIKey of 6-methylhept-6-en-2-ol?
The InChIKey is HRFFUHAMURPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 6-methylhept-6-en-2-ol?
6-methylhept-6-en-2-ol has a molecular weight of 128.22 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 6-methylhept-6-en-2-ol is sourced from PubChem (CID 11240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).