3-methoxy-2,2-dimethylpropane-1,1-diol

C6H14O3 — CID 139679020

IUPAC3-methoxy-2,2-dimethylpropane-1,1-diol
SMILESCOCC(C)(C)C(O)O
InChIInChI=1S/C6H14O3/c1-6(2,4-9-3)5(7)8/h5,7-8H,4H2,1-3H3
InChIKeyXNDCRMNDRCGIJK-UHFFFAOYSA-N
MW134.17 g/mol
LogP-0.03
Rot. Bonds3

About 3-methoxy-2,2-dimethylpropane-1,1-diol

3-methoxy-2,2-dimethylpropane-1,1-diol (PubChem CID 139679020) has the molecular formula C6H14O3 and a molecular weight of 134.17 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethylpropane-1,1-diol.

Molecular Properties

Compound Name3-methoxy-2,2-dimethylpropane-1,1-diol
PubChem CID139679020
Molecular FormulaC6H14O3
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name3-methoxy-2,2-dimethylpropane-1,1-diol
SMILESCOCC(C)(C)C(O)O
InChIInChI=1S/C6H14O3/c1-6(2,4-9-3)5(7)8/h5,7-8H,4H2,1-3H3
InChIKeyXNDCRMNDRCGIJK-UHFFFAOYSA-N
XLogP-0.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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

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CID 23199457
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
1-(5-hydroxy-7-methoxy-2,4,4,6,6-pentamethylheptan-2-yl)oxy-6-methoxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 90296930
1-methoxy-2,2-dimethylpropane
CID 160639316
ethyl 2-fluoro-4-methoxy-3,3-dimethylbutanoate
CID 170098763
1,1,3-trimethoxy-2-methylpropan-2-ol
CID 79568106
ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 145237807
1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
CID 88698683
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethylpropane-1,1-diol?
The IUPAC name of 3-methoxy-2,2-dimethylpropane-1,1-diol (CID 139679020) is 3-methoxy-2,2-dimethylpropane-1,1-diol.
What is the SMILES notation for 3-methoxy-2,2-dimethylpropane-1,1-diol?
The canonical SMILES for 3-methoxy-2,2-dimethylpropane-1,1-diol is COCC(C)(C)C(O)O.
What is the InChIKey of 3-methoxy-2,2-dimethylpropane-1,1-diol?
The InChIKey is XNDCRMNDRCGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-6(2,4-9-3)5(7)8/h5,7-8H,4H2,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethylpropane-1,1-diol?
3-methoxy-2,2-dimethylpropane-1,1-diol has a molecular weight of 134.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethylpropane-1,1-diol is sourced from PubChem (CID 139679020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).