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

C7H14O2 — CID 141231457

IUPAC2-methoxy-2,3-dimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(CO)OC
InChIInChI=1S/C7H14O2/c1-6(2)7(3,5-8)9-4/h8H,1,5H2,2-4H3
InChIKeyUJWZENCSSOLWTH-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds3

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

2-methoxy-2,3-dimethylbut-3-en-1-ol (PubChem CID 141231457) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methoxy-2,3-dimethylbut-3-en-1-ol.

Molecular Properties

Compound Name2-methoxy-2,3-dimethylbut-3-en-1-ol
PubChem CID141231457
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methoxy-2,3-dimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(CO)OC
InChIInChI=1S/C7H14O2/c1-6(2)7(3,5-8)9-4/h8H,1,5H2,2-4H3
InChIKeyUJWZENCSSOLWTH-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924164
2-Prop-1-en-2-ylpropane-1,2,3-triol
CID 11389408
2-Methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699
[(2R)-2-prop-1-en-2-yloxiran-2-yl]methanol
CID 10996997
2-Methoxy-2-methylbut-3-EN-1-OL
CID 20448587
2-Hydroperoxy-2,3-dimethylbut-3-en-1-ol
CID 58239446
2-Methoxy-3-methylidenepentan-1-ol
CID 123825070
2-(2-Methylidenebutoxy)ethanol
CID 162704021
2-Ethenyl-2-methoxybut-3-en-1-ol
CID 174357069
3-Methyl-2-propan-2-yloxybut-3-en-1-ol
CID 13415296
2,3-Dimethylbut-3-ene-1,2-diol
CID 14713006
(2S)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-dimethylbut-3-en-1-ol?
The IUPAC name of 2-methoxy-2,3-dimethylbut-3-en-1-ol (CID 141231457) is 2-methoxy-2,3-dimethylbut-3-en-1-ol.
What is the SMILES notation for 2-methoxy-2,3-dimethylbut-3-en-1-ol?
The canonical SMILES for 2-methoxy-2,3-dimethylbut-3-en-1-ol is C=C(C)C(C)(CO)OC.
What is the InChIKey of 2-methoxy-2,3-dimethylbut-3-en-1-ol?
The InChIKey is UJWZENCSSOLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)7(3,5-8)9-4/h8H,1,5H2,2-4H3.
What are the key properties of 2-methoxy-2,3-dimethylbut-3-en-1-ol?
2-methoxy-2,3-dimethylbut-3-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dimethylbut-3-en-1-ol is sourced from PubChem (CID 141231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).