nona-1,7-dien-5-ol

C9H16O — CID 57009885

IUPACnona-1,7-dien-5-ol
SMILESC=CCCC(O)CC=CC
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,6,9-10H,1,5,7-8H2,2H3
InChIKeyVXRIDUVFDXFMCD-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds5

About nona-1,7-dien-5-ol

nona-1,7-dien-5-ol (PubChem CID 57009885) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-1,7-dien-5-ol.

Molecular Properties

Compound Namenona-1,7-dien-5-ol
PubChem CID57009885
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-1,7-dien-5-ol
SMILESC=CCCC(O)CC=CC
InChIInChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,6,9-10H,1,5,7-8H2,2H3
InChIKeyVXRIDUVFDXFMCD-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nona-1,7-dien-5-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 nona-1,7-dien-5-ol?
The IUPAC name of nona-1,7-dien-5-ol (CID 57009885) is nona-1,7-dien-5-ol.
What is the SMILES notation for nona-1,7-dien-5-ol?
The canonical SMILES for nona-1,7-dien-5-ol is C=CCCC(O)CC=CC.
What is the InChIKey of nona-1,7-dien-5-ol?
The InChIKey is VXRIDUVFDXFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-7-9(10)8-6-4-2/h3-4,6,9-10H,1,5,7-8H2,2H3.
What are the key properties of nona-1,7-dien-5-ol?
nona-1,7-dien-5-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,7-dien-5-ol is sourced from PubChem (CID 57009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).