2,2-dimethylpropane-1,3-diol;styrene

C13H20O2 — CID 159255061

IUPAC2,2-dimethylpropane-1,3-diol;styrene
SMILESC=Cc1ccccc1.CC(C)(CO)CO
InChIInChI=1S/C8H8.C5H12O2/c1-2-8-6-4-3-5-7-8;1-5(2,3-6)4-7/h2-7H,1H2;6-7H,3-4H2,1-2H3
InChIKeyKVUDKAJBRXQQFF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds3

About 2,2-dimethylpropane-1,3-diol;styrene

2,2-dimethylpropane-1,3-diol;styrene (PubChem CID 159255061) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,3-diol;styrene.

Molecular Properties

Compound Name2,2-dimethylpropane-1,3-diol;styrene
PubChem CID159255061
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,2-dimethylpropane-1,3-diol;styrene
SMILESC=Cc1ccccc1.CC(C)(CO)CO
InChIInChI=1S/C8H8.C5H12O2/c1-2-8-6-4-3-5-7-8;1-5(2,3-6)4-7/h2-7H,1H2;6-7H,3-4H2,1-2H3
InChIKeyKVUDKAJBRXQQFF-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,3-diol;styrene?
The IUPAC name of 2,2-dimethylpropane-1,3-diol;styrene (CID 159255061) is 2,2-dimethylpropane-1,3-diol;styrene.
What is the SMILES notation for 2,2-dimethylpropane-1,3-diol;styrene?
The canonical SMILES for 2,2-dimethylpropane-1,3-diol;styrene is C=Cc1ccccc1.CC(C)(CO)CO.
What is the InChIKey of 2,2-dimethylpropane-1,3-diol;styrene?
The InChIKey is KVUDKAJBRXQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H12O2/c1-2-8-6-4-3-5-7-8;1-5(2,3-6)4-7/h2-7H,1H2;6-7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethylpropane-1,3-diol;styrene?
2,2-dimethylpropane-1,3-diol;styrene has a molecular weight of 208.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,3-diol;styrene is sourced from PubChem (CID 159255061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).