undec-10-ene-2,9-diol

C11H22O2 — CID 174994390

IUPACundec-10-ene-2,9-diol
SMILESC=CC(O)CCCCCCC(C)O
InChIInChI=1S/C11H22O2/c1-3-11(13)9-7-5-4-6-8-10(2)12/h3,10-13H,1,4-9H2,2H3
InChIKeyKNKWKKKQCGXIDK-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.25
Rot. Bonds8

About undec-10-ene-2,9-diol

undec-10-ene-2,9-diol (PubChem CID 174994390) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is undec-10-ene-2,9-diol.

Molecular Properties

Compound Nameundec-10-ene-2,9-diol
PubChem CID174994390
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Nameundec-10-ene-2,9-diol
SMILESC=CC(O)CCCCCCC(C)O
InChIInChI=1S/C11H22O2/c1-3-11(13)9-7-5-4-6-8-10(2)12/h3,10-13H,1,4-9H2,2H3
InChIKeyKNKWKKKQCGXIDK-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze undec-10-ene-2,9-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

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
hept-6-ene-1,5-diol
CID 13479548
7-bromohept-1-en-3-ol
CID 46179806
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
sodium;dodecan-2-ol;hydride
CID 174187549
sodium;hydride;nonan-2-ol
CID 174316439
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
6-methoxyhex-1-en-3-ol
CID 105108568
non-1-ene-3,7-diol
CID 22245625

Frequently Asked Questions

What is the IUPAC name of undec-10-ene-2,9-diol?
The IUPAC name of undec-10-ene-2,9-diol (CID 174994390) is undec-10-ene-2,9-diol.
What is the SMILES notation for undec-10-ene-2,9-diol?
The canonical SMILES for undec-10-ene-2,9-diol is C=CC(O)CCCCCCC(C)O.
What is the InChIKey of undec-10-ene-2,9-diol?
The InChIKey is KNKWKKKQCGXIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-11(13)9-7-5-4-6-8-10(2)12/h3,10-13H,1,4-9H2,2H3.
What are the key properties of undec-10-ene-2,9-diol?
undec-10-ene-2,9-diol has a molecular weight of 186.30 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-ene-2,9-diol is sourced from PubChem (CID 174994390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).