(1-ethylcyclopentyl) 2-methylidenebut-3-enoate

C12H18O2 — CID 148827736

IUPAC(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
SMILESC=CC(=C)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H18O2/c1-4-10(3)11(13)14-12(5-2)8-6-7-9-12/h4H,1,3,5-9H2,2H3
InChIKeyOTBHXHMGWJBSIP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.99
Rot. Bonds4

About (1-ethylcyclopentyl) 2-methylidenebut-3-enoate

(1-ethylcyclopentyl) 2-methylidenebut-3-enoate (PubChem CID 148827736) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-methylidenebut-3-enoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
PubChem CID148827736
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
SMILESC=CC(=C)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C12H18O2/c1-4-10(3)11(13)14-12(5-2)8-6-7-9-12/h4H,1,3,5-9H2,2H3
InChIKeyOTBHXHMGWJBSIP-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylcyclohexyl) methyl carbonate
CID 59539840
1-O-(1-ethylcyclopentyl) 4-O-propyl 2-methylidenebutanedioate
CID 89113985
(1-propylcyclononyl) prop-2-enoate
CID 141276110
4-(1-ethylcyclohexyl)oxy-4-oxobut-2-enoic acid
CID 54551047
(1-ethylcyclooctyl) 2-methylprop-2-enoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate
CID 170852401
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
CID 66804245
(1-ethylcyclohexyl) 2-iodobutanoate
CID 130346146

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-methylidenebut-3-enoate?
The IUPAC name of (1-ethylcyclopentyl) 2-methylidenebut-3-enoate (CID 148827736) is (1-ethylcyclopentyl) 2-methylidenebut-3-enoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-methylidenebut-3-enoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-methylidenebut-3-enoate is C=CC(=C)C(=O)OC1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-methylidenebut-3-enoate?
The InChIKey is OTBHXHMGWJBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-10(3)11(13)14-12(5-2)8-6-7-9-12/h4H,1,3,5-9H2,2H3.
What are the key properties of (1-ethylcyclopentyl) 2-methylidenebut-3-enoate?
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate has a molecular weight of 194.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-methylidenebut-3-enoate is sourced from PubChem (CID 148827736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).