2-methylpropane-1,1,2-triol

C4H10O3 — CID 22500679

IUPAC2-methylpropane-1,1,2-triol
SMILESCC(C)(O)C(O)O
InChIInChI=1S/C4H10O3/c1-4(2,7)3(5)6/h3,5-7H,1-2H3
InChIKeyDVNUXULDLISYBU-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.93
Rot. Bonds1

About 2-methylpropane-1,1,2-triol

2-methylpropane-1,1,2-triol (PubChem CID 22500679) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 2-methylpropane-1,1,2-triol.

Molecular Properties

Compound Name2-methylpropane-1,1,2-triol
PubChem CID22500679
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name2-methylpropane-1,1,2-triol
SMILESCC(C)(O)C(O)O
InChIInChI=1S/C4H10O3/c1-4(2,7)3(5)6/h3,5-7H,1-2H3
InChIKeyDVNUXULDLISYBU-UHFFFAOYSA-N
XLogP-0.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethylpentane-2,4-diol
CID 12896299
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium
CID 6393936
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2-aminopropane-1,1,2,3,3-pentol
CID 175213904
2-methyl-1-(methylamino)propane-1,2-diol
CID 134269744
1-aminopropane-1,2,2-triol
CID 89487611
(2S)-2-methylbut-3-yne-1,1,2-triol
CID 164820641
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790
2,3-dihydroxy-3-methylbutanal
CID 71391745

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,1,2-triol?
The IUPAC name of 2-methylpropane-1,1,2-triol (CID 22500679) is 2-methylpropane-1,1,2-triol.
What is the SMILES notation for 2-methylpropane-1,1,2-triol?
The canonical SMILES for 2-methylpropane-1,1,2-triol is CC(C)(O)C(O)O.
What is the InChIKey of 2-methylpropane-1,1,2-triol?
The InChIKey is DVNUXULDLISYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-4(2,7)3(5)6/h3,5-7H,1-2H3.
What are the key properties of 2-methylpropane-1,1,2-triol?
2-methylpropane-1,1,2-triol has a molecular weight of 106.12 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,1,2-triol is sourced from PubChem (CID 22500679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).