(4-decoxycyclohexyl) prop-2-enoate

C19H34O3 — CID 141237314

IUPAC(4-decoxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(OCCCCCCCCCC)CC1
InChIInChI=1S/C19H34O3/c1-3-5-6-7-8-9-10-11-16-21-17-12-14-18(15-13-17)22-19(20)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyAROSQMQKULYNET-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.18
Rot. Bonds12

About (4-decoxycyclohexyl) prop-2-enoate

(4-decoxycyclohexyl) prop-2-enoate (PubChem CID 141237314) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (4-decoxycyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(4-decoxycyclohexyl) prop-2-enoate
PubChem CID141237314
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(4-decoxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(OCCCCCCCCCC)CC1
InChIInChI=1S/C19H34O3/c1-3-5-6-7-8-9-10-11-16-21-17-12-14-18(15-13-17)22-19(20)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyAROSQMQKULYNET-UHFFFAOYSA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptoxycyclopropane
CID 54099544
cyclohexyl prop-2-enoate;octadec-9-enyl prop-2-enoate
CID 67765050
CID 159294157
CID 159294157
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
1-ethoxy-4-hexoxycyclohexane
CID 147022477
hexyl prop-2-enoate
CID 17259
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of (4-decoxycyclohexyl) prop-2-enoate?
The IUPAC name of (4-decoxycyclohexyl) prop-2-enoate (CID 141237314) is (4-decoxycyclohexyl) prop-2-enoate.
What is the SMILES notation for (4-decoxycyclohexyl) prop-2-enoate?
The canonical SMILES for (4-decoxycyclohexyl) prop-2-enoate is C=CC(=O)OC1CCC(OCCCCCCCCCC)CC1.
What is the InChIKey of (4-decoxycyclohexyl) prop-2-enoate?
The InChIKey is AROSQMQKULYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-3-5-6-7-8-9-10-11-16-21-17-12-14-18(15-13-17)22-19(20)4-2/h4,17-18H,2-3,5-16H2,1H3.
What are the key properties of (4-decoxycyclohexyl) prop-2-enoate?
(4-decoxycyclohexyl) prop-2-enoate has a molecular weight of 310.48 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decoxycyclohexyl) prop-2-enoate is sourced from PubChem (CID 141237314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).