2-methylidenenona-3,8-diyn-1-ol

C10H12O — CID 130130492

IUPAC2-methylidenenona-3,8-diyn-1-ol
SMILESC#CCCCC#CC(=C)CO
InChIInChI=1S/C10H12O/c1-3-4-5-6-7-8-10(2)9-11/h1,11H,2,4-6,9H2
InChIKeyILNFBESGNOUTMV-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.34
Rot. Bonds3

About 2-methylidenenona-3,8-diyn-1-ol

2-methylidenenona-3,8-diyn-1-ol (PubChem CID 130130492) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methylidenenona-3,8-diyn-1-ol.

Molecular Properties

Compound Name2-methylidenenona-3,8-diyn-1-ol
PubChem CID130130492
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-methylidenenona-3,8-diyn-1-ol
SMILESC#CCCCC#CC(=C)CO
InChIInChI=1S/C10H12O/c1-3-4-5-6-7-8-10(2)9-11/h1,11H,2,4-6,9H2
InChIKeyILNFBESGNOUTMV-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidenenona-3,8-diyn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Methylene-3-butyn-1-ol
CID 3019670
2-Methylidenepent-3-yn-1-ol
CID 119097406
3-Octyn-1-ol, 2-methylene-
CID 10877185
2-Methylidenedeca-3,9-diyn-1-ol
CID 54577210
2-Methylidenepent-4-yn-1-ol
CID 15113581
5,5-Dimethyl-2-methylidenehex-3-yn-1-ol
CID 10351771
4-Cyclopropyl-2-methylidenebut-3-yn-1-ol
CID 15542541
4-Methylidenepent-2-yne-1,5-diol
CID 86231989
2-Methylidene-5-prop-2-ynoxypent-3-yn-1-ol
CID 130130491

Frequently Asked Questions

What is the IUPAC name of 2-methylidenenona-3,8-diyn-1-ol?
The IUPAC name of 2-methylidenenona-3,8-diyn-1-ol (CID 130130492) is 2-methylidenenona-3,8-diyn-1-ol.
What is the SMILES notation for 2-methylidenenona-3,8-diyn-1-ol?
The canonical SMILES for 2-methylidenenona-3,8-diyn-1-ol is C#CCCCC#CC(=C)CO.
What is the InChIKey of 2-methylidenenona-3,8-diyn-1-ol?
The InChIKey is ILNFBESGNOUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-4-5-6-7-8-10(2)9-11/h1,11H,2,4-6,9H2.
What are the key properties of 2-methylidenenona-3,8-diyn-1-ol?
2-methylidenenona-3,8-diyn-1-ol has a molecular weight of 148.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenenona-3,8-diyn-1-ol is sourced from PubChem (CID 130130492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).