1-methoxy-2,2-dimethylbutan-1-ol

C7H16O2 — CID 20675645

IUPAC1-methoxy-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)OC
InChIInChI=1S/C7H16O2/c1-5-7(2,3)6(8)9-4/h6,8H,5H2,1-4H3
InChIKeyYFNPUUQVYQNDFR-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.39
Rot. Bonds3

About 1-methoxy-2,2-dimethylbutan-1-ol

1-methoxy-2,2-dimethylbutan-1-ol (PubChem CID 20675645) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylbutan-1-ol
PubChem CID20675645
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1-methoxy-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)OC
InChIInChI=1S/C7H16O2/c1-5-7(2,3)6(8)9-4/h6,8H,5H2,1-4H3
InChIKeyYFNPUUQVYQNDFR-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-methoxy-2,2-dimethylpropan-1-ol
CID 168838897
(4S)-4-methoxy-3,3-dimethylhexane
CID 88893621
(3-hydroxy-3-methoxy-2,2-dimethylpropyl) methanesulfonate
CID 168838894
1-methoxy-2-methyl-2-(prop-2-enoxymethyl)butan-1-ol
CID 87199324
2,2,2-trifluoro-1-methoxyethanol
CID 9892
2,2,2-tribromo-1-methoxyethanol
CID 13096273
3,3-dimethylpentan-2-yl acetate
CID 55253134
2-methoxy-N,3,3-trimethylpentan-1-amine
CID 144581664
(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
CID 71030049
2,2,3,5,5-pentamethylheptan-4-ol
CID 156689812
3-hydroxy-3-methoxy-2,2-dimethylpropanal
CID 123817001
(2R)-2-hydroxy-3,3-dimethylpentanamide
CID 126746768

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-methoxy-2,2-dimethylbutan-1-ol (CID 20675645) is 1-methoxy-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-methoxy-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-methoxy-2,2-dimethylbutan-1-ol is CCC(C)(C)C(O)OC.
What is the InChIKey of 1-methoxy-2,2-dimethylbutan-1-ol?
The InChIKey is YFNPUUQVYQNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-5-7(2,3)6(8)9-4/h6,8H,5H2,1-4H3.
What are the key properties of 1-methoxy-2,2-dimethylbutan-1-ol?
1-methoxy-2,2-dimethylbutan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 20675645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).