2-methyloct-1-en-3-ol

C9H18O — CID 12648110

IUPAC2-methyloct-1-en-3-ol
SMILESC=C(C)C(O)CCCCC
InChIInChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h9-10H,2,4-7H2,1,3H3
InChIKeyMQTGHJTYAJTINM-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds5

About 2-methyloct-1-en-3-ol

2-methyloct-1-en-3-ol (PubChem CID 12648110) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyloct-1-en-3-ol.

Molecular Properties

Compound Name2-methyloct-1-en-3-ol
PubChem CID12648110
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyloct-1-en-3-ol
SMILESC=C(C)C(O)CCCCC
InChIInChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h9-10H,2,4-7H2,1,3H3
InChIKeyMQTGHJTYAJTINM-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
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'}

Analyze 2-methyloct-1-en-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-methyloct-1-en-3-ol?
The IUPAC name of 2-methyloct-1-en-3-ol (CID 12648110) is 2-methyloct-1-en-3-ol.
What is the SMILES notation for 2-methyloct-1-en-3-ol?
The canonical SMILES for 2-methyloct-1-en-3-ol is C=C(C)C(O)CCCCC.
What is the InChIKey of 2-methyloct-1-en-3-ol?
The InChIKey is MQTGHJTYAJTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 2-methyloct-1-en-3-ol?
2-methyloct-1-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-1-en-3-ol is sourced from PubChem (CID 12648110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).