3-methoxy-2-methylpropan-1-ol

C5H12O2 — CID 18624857

IUPAC3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)CO
InChIInChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyVBZDXGATDYLXEZ-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.26
Rot. Bonds3

About 3-methoxy-2-methylpropan-1-ol

3-methoxy-2-methylpropan-1-ol (PubChem CID 18624857) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-methylpropan-1-ol
PubChem CID18624857
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)CO
InChIInChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyVBZDXGATDYLXEZ-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutanol
CID 6560
Methylpropanediol
CID 75103
Neopentyl glycol
CID 31344
Trimethylolethane
CID 6502
2-Ethyl-1,3-propanediol
CID 102293
Propylene glycol propyl ether
CID 61868
3-Methoxy-1-propanol
CID 74116
3-Ethoxy-1-propanol
CID 8109
Propylene glycol isobutyl ether
CID 118605
Trimethylolmethane
CID 78432
Oxetan-3-ylmethanol
CID 11521066
3-Methoxy-2-(methoxymethyl)propan-1-ol
CID 18405544

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 3-methoxy-2-methylpropan-1-ol (CID 18624857) is 3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 3-methoxy-2-methylpropan-1-ol is COCC(C)CO.
What is the InChIKey of 3-methoxy-2-methylpropan-1-ol?
The InChIKey is VBZDXGATDYLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-2-methylpropan-1-ol?
3-methoxy-2-methylpropan-1-ol has a molecular weight of 104.15 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 18624857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).