(6-ethyloxan-3-yl) prop-2-enoate

C10H16O3 — CID 145009692

IUPAC(6-ethyloxan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)OC1
InChIInChI=1S/C10H16O3/c1-3-8-5-6-9(7-12-8)13-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyBRNPVJRIOPQVGR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds3

About (6-ethyloxan-3-yl) prop-2-enoate

(6-ethyloxan-3-yl) prop-2-enoate (PubChem CID 145009692) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6-ethyloxan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(6-ethyloxan-3-yl) prop-2-enoate
PubChem CID145009692
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6-ethyloxan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)OC1
InChIInChI=1S/C10H16O3/c1-3-8-5-6-9(7-12-8)13-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyBRNPVJRIOPQVGR-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 159294157
CID 159294157
[4-[diethyl-(4-prop-2-enoyloxycyclohexanecarbonyl)germyl]carbonylcyclohexyl] prop-2-enoate
CID 140658540
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
(4-decoxycyclohexyl) prop-2-enoate
CID 141237314
but-3-en-2-one;2-ethyloxirane;methane
CID 159927441
(5-ethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 151484441
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
(6-oxooxan-3-yl) prop-2-enoate
CID 67203848
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
(5S)-2-ethyl-5-[(1S)-3-ethylcyclohexyl]oxyoxane
CID 121307560

Frequently Asked Questions

What is the IUPAC name of (6-ethyloxan-3-yl) prop-2-enoate?
The IUPAC name of (6-ethyloxan-3-yl) prop-2-enoate (CID 145009692) is (6-ethyloxan-3-yl) prop-2-enoate.
What is the SMILES notation for (6-ethyloxan-3-yl) prop-2-enoate?
The canonical SMILES for (6-ethyloxan-3-yl) prop-2-enoate is C=CC(=O)OC1CCC(CC)OC1.
What is the InChIKey of (6-ethyloxan-3-yl) prop-2-enoate?
The InChIKey is BRNPVJRIOPQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8-5-6-9(7-12-8)13-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of (6-ethyloxan-3-yl) prop-2-enoate?
(6-ethyloxan-3-yl) prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyloxan-3-yl) prop-2-enoate is sourced from PubChem (CID 145009692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).