2-methyl-4-methylideneoctan-3-ol

C10H20O — CID 123307927

IUPAC2-methyl-4-methylideneoctan-3-ol
SMILESC=C(CCCC)C(O)C(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-9(4)10(11)8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyZUGQIAYECXPTRN-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 2-methyl-4-methylideneoctan-3-ol

2-methyl-4-methylideneoctan-3-ol (PubChem CID 123307927) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-4-methylideneoctan-3-ol.

Molecular Properties

Compound Name2-methyl-4-methylideneoctan-3-ol
PubChem CID123307927
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methyl-4-methylideneoctan-3-ol
SMILESC=C(CCCC)C(O)C(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-9(4)10(11)8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyZUGQIAYECXPTRN-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-4-methylideneoctan-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-4-methylideneoctan-3-ol?
The IUPAC name of 2-methyl-4-methylideneoctan-3-ol (CID 123307927) is 2-methyl-4-methylideneoctan-3-ol.
What is the SMILES notation for 2-methyl-4-methylideneoctan-3-ol?
The canonical SMILES for 2-methyl-4-methylideneoctan-3-ol is C=C(CCCC)C(O)C(C)C.
What is the InChIKey of 2-methyl-4-methylideneoctan-3-ol?
The InChIKey is ZUGQIAYECXPTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-7-9(4)10(11)8(2)3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-methylideneoctan-3-ol?
2-methyl-4-methylideneoctan-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylideneoctan-3-ol is sourced from PubChem (CID 123307927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).