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

C12H20O2 — CID 11159909

IUPAC[(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate
SMILESC=C(C)[C@H]1C[C@@H](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/t10-,11+/m0/s1
InChIKeyXUCVWTVHEYSKFF-WDEREUQCSA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds3

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

[(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate (PubChem CID 11159909) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate.

Molecular Properties

Compound Name[(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate
PubChem CID11159909
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate
SMILESC=C(C)[C@H]1C[C@@H](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/t10-,11+/m0/s1
InChIKeyXUCVWTVHEYSKFF-WDEREUQCSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate?
The IUPAC name of [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate (CID 11159909) is [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate.
What is the SMILES notation for [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate?
The canonical SMILES for [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate is C=C(C)[C@H]1C[C@@H](COC(C)=O)C1(C)C.
What is the InChIKey of [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate?
The InChIKey is XUCVWTVHEYSKFF-WDEREUQCSA-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/t10-,11+/m0/s1.
What are the key properties of [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate?
[(1R,3R)-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 [(1R,3R)-2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl]methyl acetate is sourced from PubChem (CID 11159909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).