(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate

C16H24O2 — CID 21131305

IUPAC(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CCCCC2)C=CCCC1
InChIInChI=1S/C16H24O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h7,11,14H,1,3-6,8-10,12H2,2H3
InChIKeyGSHDLGPMDBICEE-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.16
Rot. Bonds3

About (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate

(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate (PubChem CID 21131305) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate
PubChem CID21131305
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CCCCC2)C=CCCC1
InChIInChI=1S/C16H24O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h7,11,14H,1,3-6,8-10,12H2,2H3
InChIKeyGSHDLGPMDBICEE-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Plakortone G
CID 44576264
(5R)-3,5-diethyl-5-[(2S)-2-ethylhexyl]furan-2-one
CID 71462572
[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] acetate
CID 15043227
[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] propanoate
CID 15043228
[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] 2-methylpropanoate
CID 15043229
[(E)-5-[(1S,3S,4R)-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-5-en-3-yl]-2-methylpent-2-enyl] butanoate
CID 15043230
[(2R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
CID 163011483
[(2R,4S,4aR)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
CID 163011484
4-(2-Cyclohexylethyl)-5,5-dimethylfuran-2-one
CID 10822930
(4aS,7R)-4,4,8-trimethyl-3'-propan-2-ylspiro[1,2,3,4a,5,6-hexahydronaphthalene-7,5'-furan]-2'-one
CID 172450047
[(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
CID 11287016
(2,7-Dimethyl-2-bicyclo[3.3.1]non-1(8)-enyl) 2-(trifluoromethyl)prop-2-enoate
CID 148408146

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate (CID 21131305) is (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CCCCC2)C=CCCC1.
What is the InChIKey of (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate?
The InChIKey is GSHDLGPMDBICEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h7,11,14H,1,3-6,8-10,12H2,2H3.
What are the key properties of (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate?
(1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate has a molecular weight of 248.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohex-2-en-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 21131305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).