(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one

C12H18O2 — CID 102084247

IUPAC(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one
SMILESC/C=C1\CC(C2CCCCC2)OC1=O
InChIInChI=1S/C12H18O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2,10-11H,3-8H2,1H3/b9-2+
InChIKeyPUVHYOZNINMQDV-XNWCZRBMSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds1

About (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one

(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one (PubChem CID 102084247) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one.

Molecular Properties

Compound Name(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one
PubChem CID102084247
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one
SMILESC/C=C1\CC(C2CCCCC2)OC1=O
InChIInChI=1S/C12H18O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2,10-11H,3-8H2,1H3/b9-2+
InChIKeyPUVHYOZNINMQDV-XNWCZRBMSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
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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Frequently Asked Questions

What is the IUPAC name of (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one?
The IUPAC name of (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one (CID 102084247) is (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one.
What is the SMILES notation for (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one?
The canonical SMILES for (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one is C/C=C1\CC(C2CCCCC2)OC1=O.
What is the InChIKey of (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one?
The InChIKey is PUVHYOZNINMQDV-XNWCZRBMSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2,10-11H,3-8H2,1H3/b9-2+.
What are the key properties of (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one?
(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-cyclohexyl-3-ethylideneoxolan-2-one is sourced from PubChem (CID 102084247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).