5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate

C17H26O4 — CID 69230771

IUPAC5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
SMILESC=CC(=O)OCCCCCOC(=O)C(=C)C1CCCCC1
InChIInChI=1S/C17H26O4/c1-3-16(18)20-12-8-5-9-13-21-17(19)14(2)15-10-6-4-7-11-15/h3,15H,1-2,4-13H2
InChIKeySVFKMACLTTZOPW-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds9

About 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate

5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate (PubChem CID 69230771) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
PubChem CID69230771
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
SMILESC=CC(=O)OCCCCCOC(=O)C(=C)C1CCCCC1
InChIInChI=1S/C17H26O4/c1-3-16(18)20-12-8-5-9-13-21-17(19)14(2)15-10-6-4-7-11-15/h3,15H,1-2,4-13H2
InChIKeySVFKMACLTTZOPW-UHFFFAOYSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
propyl 2-cyclopentylprop-2-enoate
CID 174733277
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
CID 174909348
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid
CID 23028064
cyclohexyl prop-2-enoate;octadec-9-enyl prop-2-enoate
CID 67765050

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate?
The IUPAC name of 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate (CID 69230771) is 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate.
What is the SMILES notation for 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate?
The canonical SMILES for 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate is C=CC(=O)OCCCCCOC(=O)C(=C)C1CCCCC1.
What is the InChIKey of 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate?
The InChIKey is SVFKMACLTTZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-16(18)20-12-8-5-9-13-21-17(19)14(2)15-10-6-4-7-11-15/h3,15H,1-2,4-13H2.
What are the key properties of 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate?
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate is sourced from PubChem (CID 69230771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).