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

C11H20O2 — CID 15365940

IUPAC2,2-bis(2-methylprop-2-enyl)propane-1,3-diol
SMILESC=C(C)CC(CO)(CO)CC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h12-13H,1,3,5-8H2,2,4H3
InChIKeyYJHMTHLISOAATO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds6

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

2,2-bis(2-methylprop-2-enyl)propane-1,3-diol (PubChem CID 15365940) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enyl)propane-1,3-diol
PubChem CID15365940
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-bis(2-methylprop-2-enyl)propane-1,3-diol
SMILESC=C(C)CC(CO)(CO)CC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h12-13H,1,3,5-8H2,2,4H3
InChIKeyYJHMTHLISOAATO-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-bis(2-methylprop-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

Related Compounds

2,2,4-Trimethylpent-4-en-1-ol
CID 543901
[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
4-Neopentyl-4-penten-1-ol
CID 89747777
[1-(Hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 3809023
4,4,5-Trimethylhex-5-en-1-ol
CID 10103486
(4S,6S)-5,5-dimethylnona-1,8-diene-4,6-diol
CID 71663609
1,1-Bis(hydroxymethyl)-3,4-dimethyl-cyclopent-3-ene
CID 129777754
2-(Isopropenylcyclobutyl)ethanol
CID 157649204
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
6-Methyl-3,3-bis(prop-1-en-2-yl)heptan-1-ol
CID 10536454
Vqeqakrpuattnr-uhfffaoysa-
CID 11401566
3,3,4-Trimethylpent-4-en-1-ol
CID 10034790

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol (CID 15365940) is 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol is C=C(C)CC(CO)(CO)CC(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol?
The InChIKey is YJHMTHLISOAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h12-13H,1,3,5-8H2,2,4H3.
What are the key properties of 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol?
2,2-bis(2-methylprop-2-enyl)propane-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enyl)propane-1,3-diol is sourced from PubChem (CID 15365940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).