non-1-ene-3,7-diol

C9H18O2 — CID 22245625

IUPACnon-1-ene-3,7-diol
SMILESC=CC(O)CCCC(O)CC
InChIInChI=1S/C9H18O2/c1-3-8(10)6-5-7-9(11)4-2/h3,8-11H,1,4-7H2,2H3
InChIKeyCCSFSOQWGVNVRC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds6

About non-1-ene-3,7-diol

non-1-ene-3,7-diol (PubChem CID 22245625) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is non-1-ene-3,7-diol.

Molecular Properties

Compound Namenon-1-ene-3,7-diol
PubChem CID22245625
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namenon-1-ene-3,7-diol
SMILESC=CC(O)CCCC(O)CC
InChIInChI=1S/C9H18O2/c1-3-8(10)6-5-7-9(11)4-2/h3,8-11H,1,4-7H2,2H3
InChIKeyCCSFSOQWGVNVRC-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze non-1-ene-3,7-diol 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

nonane-3,7-diol
CID 22141483
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
undec-10-ene-2,9-diol
CID 174994390
hept-6-ene-1,5-diol
CID 13479548
7-methylnonan-3-ol
CID 64515833
decane-3,4,8-triol
CID 57273849
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
7-ethenoxyheptan-3-ol
CID 175035685
6-methoxyhex-1-en-3-ol
CID 105108568
2-methylnon-1-ene-3,7-diol
CID 140997811

Frequently Asked Questions

What is the IUPAC name of non-1-ene-3,7-diol?
The IUPAC name of non-1-ene-3,7-diol (CID 22245625) is non-1-ene-3,7-diol.
What is the SMILES notation for non-1-ene-3,7-diol?
The canonical SMILES for non-1-ene-3,7-diol is C=CC(O)CCCC(O)CC.
What is the InChIKey of non-1-ene-3,7-diol?
The InChIKey is CCSFSOQWGVNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-8(10)6-5-7-9(11)4-2/h3,8-11H,1,4-7H2,2H3.
What are the key properties of non-1-ene-3,7-diol?
non-1-ene-3,7-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene-3,7-diol is sourced from PubChem (CID 22245625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).