1,1-dimethoxy-3-methylbutan-1-ol

C7H16O3 — CID 11435025

IUPAC1,1-dimethoxy-3-methylbutan-1-ol
SMILESCOC(O)(CC(C)C)OC
InChIInChI=1S/C7H16O3/c1-6(2)5-7(8,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyJQIXTIXHQJLYRL-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.97
Rot. Bonds4

About 1,1-dimethoxy-3-methylbutan-1-ol

1,1-dimethoxy-3-methylbutan-1-ol (PubChem CID 11435025) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1-dimethoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1,1-dimethoxy-3-methylbutan-1-ol
PubChem CID11435025
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,1-dimethoxy-3-methylbutan-1-ol
SMILESCOC(O)(CC(C)C)OC
InChIInChI=1S/C7H16O3/c1-6(2)5-7(8,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyJQIXTIXHQJLYRL-UHFFFAOYSA-N
XLogP0.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-methylbutan-1-ol?
The IUPAC name of 1,1-dimethoxy-3-methylbutan-1-ol (CID 11435025) is 1,1-dimethoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1,1-dimethoxy-3-methylbutan-1-ol?
The canonical SMILES for 1,1-dimethoxy-3-methylbutan-1-ol is COC(O)(CC(C)C)OC.
What is the InChIKey of 1,1-dimethoxy-3-methylbutan-1-ol?
The InChIKey is JQIXTIXHQJLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(2)5-7(8,9-3)10-4/h6,8H,5H2,1-4H3.
What are the key properties of 1,1-dimethoxy-3-methylbutan-1-ol?
1,1-dimethoxy-3-methylbutan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-methylbutan-1-ol is sourced from PubChem (CID 11435025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).