2-(hydroxymethyl)-2-methylpropane-1,3-diol

C5H12O3 — CID 6502

IUPAC2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO
InChIInChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChIKeyQXJQHYBHAIHNGG-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.03
Rot. Bonds3

About 2-(hydroxymethyl)-2-methylpropane-1,3-diol

2-(hydroxymethyl)-2-methylpropane-1,3-diol (PubChem CID 6502) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methylpropane-1,3-diol
PubChem CID6502
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name2-(hydroxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CO
InChIInChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChIKeyQXJQHYBHAIHNGG-UHFFFAOYSA-N
XLogP-1.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8285
Methylpropanediol
CID 75103
Neopentyl glycol
CID 31344
Trimethylolpropane
CID 6510
Neopentyl alcohol
CID 6404
3-Methoxy-1-propanol
CID 74116
3-Methyl-3-oxetanemethanol
CID 137837
Trimethylolmethane
CID 78432
3-Methoxy-2-methylpropan-1-ol
CID 18624857
3-Methoxy-2-(methoxymethyl)propan-1-ol
CID 18405544
2-(Methoxymethyl)propane-1,3-diol
CID 20432232
1-Propanol, 3-methoxy-2,2-dimethyl-
CID 143440

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol (CID 6502) is 2-(hydroxymethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-methylpropane-1,3-diol?
The InChIKey is QXJQHYBHAIHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methylpropane-1,3-diol?
2-(hydroxymethyl)-2-methylpropane-1,3-diol has a molecular weight of 120.15 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 6502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).