(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate

C14H20O4 — CID 173227335

IUPAC(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)CC1OC(=O)C=C
InChIInChI=1S/C14H20O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyJITDVASQWWNITQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.39
Rot. Bonds5

About (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate

(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate (PubChem CID 173227335) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
PubChem CID173227335
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)CC1OC(=O)C=C
InChIInChI=1S/C14H20O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h5-6,10-12H,2-4,7-9H2,1H3
InChIKeyJITDVASQWWNITQ-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[bis(trimethylsilyloxy)methylsilyl]ethyl]-2-prop-2-enoyloxycyclohexyl] prop-2-enoate
CID 154387314
(3-ethyl-5-methylcyclohexyl) prop-2-enoate
CID 89367928
ethylcyclooctane;methyl prop-2-enoate
CID 158888004
bis(but-3-en-2-one);1,4-diethylcyclohexane;ethene;propane
CID 145237669
[4-(hydroxymethyl)cyclohexyl] prop-2-enoate
CID 135259704
[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate
CID 70451951
1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
CID 123746501
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate
CID 174020370
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
[2-hydroxy-4-(prop-2-enoyloxymethyl)cyclohexyl] 2-methylpropanoate
CID 167019590
2-(4-prop-2-enoyloxycyclohexyl)acetic acid
CID 138732597

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate?
The IUPAC name of (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate (CID 173227335) is (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate.
What is the SMILES notation for (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate?
The canonical SMILES for (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate is C=CC(=O)OC1CCC(CC)CC1OC(=O)C=C.
What is the InChIKey of (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate?
The InChIKey is JITDVASQWWNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-10-7-8-11(17-13(15)5-2)12(9-10)18-14(16)6-3/h5-6,10-12H,2-4,7-9H2,1H3.
What are the key properties of (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate?
(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate is sourced from PubChem (CID 173227335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).