(1-propan-2-ylcyclobutyl) prop-2-enoate

C10H16O2 — CID 141276089

IUPAC(1-propan-2-ylcyclobutyl) prop-2-enoate
SMILESC=CC(=O)OC1(C(C)C)CCC1
InChIInChI=1S/C10H16O2/c1-4-9(11)12-10(8(2)3)6-5-7-10/h4,8H,1,5-7H2,2-3H3
InChIKeyHHSNBZYGDVTOPT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds3

About (1-propan-2-ylcyclobutyl) prop-2-enoate

(1-propan-2-ylcyclobutyl) prop-2-enoate (PubChem CID 141276089) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-propan-2-ylcyclobutyl) prop-2-enoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclobutyl) prop-2-enoate
PubChem CID141276089
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-propan-2-ylcyclobutyl) prop-2-enoate
SMILESC=CC(=O)OC1(C(C)C)CCC1
InChIInChI=1S/C10H16O2/c1-4-9(11)12-10(8(2)3)6-5-7-10/h4,8H,1,5-7H2,2-3H3
InChIKeyHHSNBZYGDVTOPT-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
1-propan-2-yloxy-2-prop-2-enoyloxycyclohexane-1,2-dicarboxylic acid
CID 18172894
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
2-methyl-3-oxo-3-(1-propan-2-ylcyclohexyl)oxypropanoic acid
CID 170442818
[1-[2-(1-prop-2-enoyloxycyclohexyl)propan-2-yl]cyclohexyl] prop-2-enoate
CID 20502006
[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
CID 118503796
(1-propylcyclononyl) prop-2-enoate
CID 141276110
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
CID 89042692
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclobutyl) prop-2-enoate?
The IUPAC name of (1-propan-2-ylcyclobutyl) prop-2-enoate (CID 141276089) is (1-propan-2-ylcyclobutyl) prop-2-enoate.
What is the SMILES notation for (1-propan-2-ylcyclobutyl) prop-2-enoate?
The canonical SMILES for (1-propan-2-ylcyclobutyl) prop-2-enoate is C=CC(=O)OC1(C(C)C)CCC1.
What is the InChIKey of (1-propan-2-ylcyclobutyl) prop-2-enoate?
The InChIKey is HHSNBZYGDVTOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9(11)12-10(8(2)3)6-5-7-10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of (1-propan-2-ylcyclobutyl) prop-2-enoate?
(1-propan-2-ylcyclobutyl) prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclobutyl) prop-2-enoate is sourced from PubChem (CID 141276089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).