cyclopentyl 2,3-dimethylbut-2-enoate

C11H18O2 — CID 131134401

IUPACcyclopentyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OC1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)9(3)11(12)13-10-6-4-5-7-10/h10H,4-7H2,1-3H3
InChIKeyWGFQJFKAHLEBSH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds2

About cyclopentyl 2,3-dimethylbut-2-enoate

cyclopentyl 2,3-dimethylbut-2-enoate (PubChem CID 131134401) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclopentyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Namecyclopentyl 2,3-dimethylbut-2-enoate
PubChem CID131134401
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclopentyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OC1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)9(3)11(12)13-10-6-4-5-7-10/h10H,4-7H2,1-3H3
InChIKeyWGFQJFKAHLEBSH-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
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

2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
CID 68952375
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
4-cyclohexyloxy-3-methyl-4-oxo-2-trimethylsilylbut-2-enoic acid
CID 54513764
cycloheptadecyl acetate
CID 57215828
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2,3-dimethylbut-2-enoate?
The IUPAC name of cyclopentyl 2,3-dimethylbut-2-enoate (CID 131134401) is cyclopentyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for cyclopentyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for cyclopentyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2,3-dimethylbut-2-enoate?
The InChIKey is WGFQJFKAHLEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)9(3)11(12)13-10-6-4-5-7-10/h10H,4-7H2,1-3H3.
What are the key properties of cyclopentyl 2,3-dimethylbut-2-enoate?
cyclopentyl 2,3-dimethylbut-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 131134401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).