(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate

C15H24O3 — CID 58107900

IUPAC(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CC1CCCCC1
InChIInChI=1S/C15H24O3/c1-12(2)15(17)18-10-6-9-14(16)11-13-7-4-3-5-8-13/h13H,1,3-11H2,2H3
InChIKeyHDLOOKBOBCSRBQ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.43
Rot. Bonds7

About (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate

(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate (PubChem CID 58107900) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
PubChem CID58107900
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CC1CCCCC1
InChIInChI=1S/C15H24O3/c1-12(2)15(17)18-10-6-9-14(16)11-13-7-4-3-5-8-13/h13H,1,3-11H2,2H3
InChIKeyHDLOOKBOBCSRBQ-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.43
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

5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
4-O-(5-cyclohexyl-4-oxopentyl) 1-O-methyl 2-methylbutanedioate
CID 123785670
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
1-cyclohexylnonan-2-one
CID 22768059
8-amino-1-cyclohexyloctan-2-one
CID 116551525
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(2-hydroxycyclohexyl)propyl 2-methylprop-2-enoate
CID 142509659
1-cyclopropyl-5-methoxypentan-2-one
CID 65094605
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate?
The IUPAC name of (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate (CID 58107900) is (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(=O)CC1CCCCC1.
What is the InChIKey of (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate?
The InChIKey is HDLOOKBOBCSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(2)15(17)18-10-6-9-14(16)11-13-7-4-3-5-8-13/h13H,1,3-11H2,2H3.
What are the key properties of (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate?
(5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-4-oxopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 58107900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).