2,2-bis(prop-2-enyl)propane-1,3-diol

C9H16O2 — CID 13157912

IUPAC2,2-bis(prop-2-enyl)propane-1,3-diol
SMILESC=CCC(CO)(CO)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-9(7-10,8-11)6-4-2/h3-4,10-11H,1-2,5-8H2
InChIKeyKNUGAYCUAPXLQK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.11
Rot. Bonds6

About 2,2-bis(prop-2-enyl)propane-1,3-diol

2,2-bis(prop-2-enyl)propane-1,3-diol (PubChem CID 13157912) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)propane-1,3-diol
PubChem CID13157912
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,2-bis(prop-2-enyl)propane-1,3-diol
SMILESC=CCC(CO)(CO)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-9(7-10,8-11)6-4-2/h3-4,10-11H,1-2,5-8H2
InChIKeyKNUGAYCUAPXLQK-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-bis(prop-2-enyl)propane-1,3-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 2,2-bis(prop-2-enyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(prop-2-enyl)propane-1,3-diol (CID 13157912) is 2,2-bis(prop-2-enyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(prop-2-enyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(prop-2-enyl)propane-1,3-diol is C=CCC(CO)(CO)CC=C.
What is the InChIKey of 2,2-bis(prop-2-enyl)propane-1,3-diol?
The InChIKey is KNUGAYCUAPXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(7-10,8-11)6-4-2/h3-4,10-11H,1-2,5-8H2.
What are the key properties of 2,2-bis(prop-2-enyl)propane-1,3-diol?
2,2-bis(prop-2-enyl)propane-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)propane-1,3-diol is sourced from PubChem (CID 13157912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).