2-methyl-6-methylideneocta-1,7-dien-3-ol

C10H16O — CID 534462

IUPAC2-methyl-6-methylideneocta-1,7-dien-3-ol
SMILESC=CC(=C)CCC(O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3
InChIKeySQRIUUSIOSHZFA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-6-methylideneocta-1,7-dien-3-ol

2-methyl-6-methylideneocta-1,7-dien-3-ol (PubChem CID 534462) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-6-methylideneocta-1,7-dien-3-ol.

Molecular Properties

Compound Name2-methyl-6-methylideneocta-1,7-dien-3-ol
PubChem CID534462
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-6-methylideneocta-1,7-dien-3-ol
SMILESC=CC(=C)CCC(O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3
InChIKeySQRIUUSIOSHZFA-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-6-methylideneocta-1,7-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylideneocta-1,7-dien-3-ol?
The IUPAC name of 2-methyl-6-methylideneocta-1,7-dien-3-ol (CID 534462) is 2-methyl-6-methylideneocta-1,7-dien-3-ol.
What is the SMILES notation for 2-methyl-6-methylideneocta-1,7-dien-3-ol?
The canonical SMILES for 2-methyl-6-methylideneocta-1,7-dien-3-ol is C=CC(=C)CCC(O)C(=C)C.
What is the InChIKey of 2-methyl-6-methylideneocta-1,7-dien-3-ol?
The InChIKey is SQRIUUSIOSHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3.
What are the key properties of 2-methyl-6-methylideneocta-1,7-dien-3-ol?
2-methyl-6-methylideneocta-1,7-dien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylideneocta-1,7-dien-3-ol is sourced from PubChem (CID 534462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).