2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol

C10H20O2 — CID 154235238

IUPAC2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol
SMILESC=C(C)CC(CO)(CO)CCC
InChIInChI=1S/C10H20O2/c1-4-5-10(7-11,8-12)6-9(2)3/h11-12H,2,4-8H2,1,3H3
InChIKeyOGVASINEVORMEG-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol

2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol (PubChem CID 154235238) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol
PubChem CID154235238
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol
SMILESC=C(C)CC(CO)(CO)CCC
InChIInChI=1S/C10H20O2/c1-4-5-10(7-11,8-12)6-9(2)3/h11-12H,2,4-8H2,1,3H3
InChIKeyOGVASINEVORMEG-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol?
The IUPAC name of 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol (CID 154235238) is 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol?
The canonical SMILES for 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol is C=C(C)CC(CO)(CO)CCC.
What is the InChIKey of 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol?
The InChIKey is OGVASINEVORMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-10(7-11,8-12)6-9(2)3/h11-12H,2,4-8H2,1,3H3.
What are the key properties of 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol?
2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-2-propylpropane-1,3-diol is sourced from PubChem (CID 154235238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).