undec-1-ene-4,6-diol

C11H22O2 — CID 68741265

IUPACundec-1-ene-4,6-diol
SMILESC=CCC(O)CC(O)CCCCC
InChIInChI=1S/C11H22O2/c1-3-5-6-8-11(13)9-10(12)7-4-2/h4,10-13H,2-3,5-9H2,1H3
InChIKeyXVPWDHAGSBBZCU-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.25
Rot. Bonds8

About undec-1-ene-4,6-diol

undec-1-ene-4,6-diol (PubChem CID 68741265) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is undec-1-ene-4,6-diol.

Molecular Properties

Compound Nameundec-1-ene-4,6-diol
PubChem CID68741265
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Nameundec-1-ene-4,6-diol
SMILESC=CCC(O)CC(O)CCCCC
InChIInChI=1S/C11H22O2/c1-3-5-6-8-11(13)9-10(12)7-4-2/h4,10-13H,2-3,5-9H2,1H3
InChIKeyXVPWDHAGSBBZCU-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 ≤ 500186.29
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-1-ene-4,6-diol 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 undec-1-ene-4,6-diol?
The IUPAC name of undec-1-ene-4,6-diol (CID 68741265) is undec-1-ene-4,6-diol.
What is the SMILES notation for undec-1-ene-4,6-diol?
The canonical SMILES for undec-1-ene-4,6-diol is C=CCC(O)CC(O)CCCCC.
What is the InChIKey of undec-1-ene-4,6-diol?
The InChIKey is XVPWDHAGSBBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-8-11(13)9-10(12)7-4-2/h4,10-13H,2-3,5-9H2,1H3.
What are the key properties of undec-1-ene-4,6-diol?
undec-1-ene-4,6-diol has a molecular weight of 186.29 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-1-ene-4,6-diol is sourced from PubChem (CID 68741265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).