1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol

C8H16O3 — CID 79190247

IUPAC1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)C(OC)OC
InChIInChI=1S/C8H16O3/c1-6(2)8(3,9)7(10-4)11-5/h7,9H,1H2,2-5H3
InChIKeyNKJURPOXCUZVJF-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds4

About 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol

1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol (PubChem CID 79190247) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol
PubChem CID79190247
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)C(OC)OC
InChIInChI=1S/C8H16O3/c1-6(2)8(3,9)7(10-4)11-5/h7,9H,1H2,2-5H3
InChIKeyNKJURPOXCUZVJF-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol?
The IUPAC name of 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol (CID 79190247) is 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol?
The canonical SMILES for 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol is C=C(C)C(C)(O)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol?
The InChIKey is NKJURPOXCUZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)8(3,9)7(10-4)11-5/h7,9H,1H2,2-5H3.
What are the key properties of 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol?
1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2,3-dimethylbut-3-en-2-ol is sourced from PubChem (CID 79190247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).