cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate

C18H30O2Si — CID 101411441

IUPACcyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)C1CCC/C1=C\[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-14(18(19)20-16-10-6-5-7-11-16)17-12-8-9-15(17)13-21(2,3)4/h13,16-17H,1,5-12H2,2-4H3/b15-13+
InChIKeyGZDYXVPKEZHMGV-FYWRMAATSA-N
MW306.52 g/mol
LogP5.02
Rot. Bonds4

About cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate

cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate (PubChem CID 101411441) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate
PubChem CID101411441
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Namecyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)C1CCC/C1=C\[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-14(18(19)20-16-10-6-5-7-11-16)17-12-8-9-15(17)13-21(2,3)4/h13,16-17H,1,5-12H2,2-4H3/b15-13+
InChIKeyGZDYXVPKEZHMGV-FYWRMAATSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,3aS,7aR)-3-(trimethylsilylmethylidene)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 101628712
Cyclopentyl 6-methyl-2-methylideneheptanoate
CID 53722047
2-Ethylhexyl 2-cyclohexylprop-2-enoate
CID 57075149
tert-butyl (5S)-5-(cyclohexyloxymethyl)-2-methylideneheptanoate
CID 68244706
Cyclohexyl 4-ethyl-2-methylideneoctanoate
CID 69445758
8-[Tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 89484598
Cyclohexyl 6-methyl-2-methylideneheptanoate
CID 139998473
1-Cyclopentylethyl 2-cyclopentylprop-2-enoate
CID 141328067
CID 144355703
CID 144355703
Propan-2-yl 2-cyclopentylprop-2-enoate
CID 174719332
Methyl 2-(4-ethoxycyclohexyl)prop-2-enoate
CID 174859103
(3E)-3-(trimethylsilylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-one
CID 10263615

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate?
The IUPAC name of cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate (CID 101411441) is cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate?
The canonical SMILES for cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate is C=C(C(=O)OC1CCCCC1)C1CCC/C1=C\[Si](C)(C)C.
What is the InChIKey of cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate?
The InChIKey is GZDYXVPKEZHMGV-FYWRMAATSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-14(18(19)20-16-10-6-5-7-11-16)17-12-8-9-15(17)13-21(2,3)4/h13,16-17H,1,5-12H2,2-4H3/b15-13+.
What are the key properties of cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate?
cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate has a molecular weight of 306.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate is sourced from PubChem (CID 101411441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).