cyclopentylmethyl 2-methylidenebutanoate

C11H18O2 — CID 156770816

IUPACcyclopentylmethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC1CCCC1
InChIInChI=1S/C11H18O2/c1-3-9(2)11(12)13-8-10-6-4-5-7-10/h10H,2-8H2,1H3
InChIKeyJXGUZENAEWJUHB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About cyclopentylmethyl 2-methylidenebutanoate

cyclopentylmethyl 2-methylidenebutanoate (PubChem CID 156770816) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclopentylmethyl 2-methylidenebutanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-methylidenebutanoate
PubChem CID156770816
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclopentylmethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC1CCCC1
InChIInChI=1S/C11H18O2/c1-3-9(2)11(12)13-8-10-6-4-5-7-10/h10H,2-8H2,1H3
InChIKeyJXGUZENAEWJUHB-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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

ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
ethyl 4-cyclohexyl-2-methylidenebutanoate
CID 101255888
cyclododecyl 2-methylidenebutanoate
CID 57244431
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
cyclopentylmethyl 2-aminobutanoate
CID 66322645
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
(3-ethylcyclohexyl) 2-methylidenebutanoate
CID 156770755
(4-ethoxycyclohexyl)methyl 2-methylprop-2-enoate
CID 139934588

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-methylidenebutanoate?
The IUPAC name of cyclopentylmethyl 2-methylidenebutanoate (CID 156770816) is cyclopentylmethyl 2-methylidenebutanoate.
What is the SMILES notation for cyclopentylmethyl 2-methylidenebutanoate?
The canonical SMILES for cyclopentylmethyl 2-methylidenebutanoate is C=C(CC)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-methylidenebutanoate?
The InChIKey is JXGUZENAEWJUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9(2)11(12)13-8-10-6-4-5-7-10/h10H,2-8H2,1H3.
What are the key properties of cyclopentylmethyl 2-methylidenebutanoate?
cyclopentylmethyl 2-methylidenebutanoate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-methylidenebutanoate is sourced from PubChem (CID 156770816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).