(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate

C12H20O2 — CID 10856407

IUPAC(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate
SMILESC=C(C)C1CC(COC(C)=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-10(12(11,4)5)7-14-9(3)13/h10-11H,1,6-7H2,2-5H3
InChIKeyXUCVWTVHEYSKFF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds3

About (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate

(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate (PubChem CID 10856407) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate
PubChem CID10856407
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate
SMILESC=C(C)C1CC(COC(C)=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-10(12(11,4)5)7-14-9(3)13/h10-11H,1,6-7H2,2-5H3
InChIKeyXUCVWTVHEYSKFF-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,3S)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate
CID 92468454
2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl acetate
CID 77140901
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methyl acetate
CID 12600904
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl acetate
CID 66556493
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
CID 162982040
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
CID 163034239
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
CID 163189059
3-Isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate
CID 58602016
((1r,2s)-2-Isopropenyl-1-(4-methylpent-4-enyl)cyclobutyl)ethyl acetate
CID 11065335
(+)-(1r)-cis-2,2-Dimethyl-3-isopropenylcyclobutanemethanol acetate
CID 11159909
(1R,3R)-3-isopropenyl-2,2-dimethylcyclobutylmethyl 3-methyl-3-butenoate
CID 11310917
Birkenyl acetate
CID 11459375

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate?
The IUPAC name of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate (CID 10856407) is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate.
What is the SMILES notation for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate?
The canonical SMILES for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate is C=C(C)C1CC(COC(C)=O)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate?
The InChIKey is XUCVWTVHEYSKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-6-10(12(11,4)5)7-14-9(3)13/h10-11H,1,6-7H2,2-5H3.
What are the key properties of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate?
(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate has a molecular weight of 196.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl acetate is sourced from PubChem (CID 10856407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).