ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate

C20H36O2Si — CID 11186748

IUPACethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate
SMILESCCOC(=O)/C(=C/C=C1CCC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-22-19(21)17(15-23(5,6)7)12-9-16-10-13-18(14-11-16)20(2,3)4/h9,12,18H,8,10-11,13-15H2,1-7H3/b16-9-,17-12+
InChIKeyKMBLVXLKOKGDFZ-KIHKPCNNSA-N
MW336.59 g/mol
LogP5.98
Rot. Bonds5

About ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate

ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate (PubChem CID 11186748) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate
PubChem CID11186748
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Nameethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate
SMILESCCOC(=O)/C(=C/C=C1CCC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-22-19(21)17(15-23(5,6)7)12-9-16-10-13-18(14-11-16)20(2,3)4/h9,12,18H,8,10-11,13-15H2,1-7H3/b16-9-,17-12+
InChIKeyKMBLVXLKOKGDFZ-KIHKPCNNSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.98
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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate?
The IUPAC name of ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate (CID 11186748) is ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate.
What is the SMILES notation for ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate?
The canonical SMILES for ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate is CCOC(=O)/C(=C/C=C1CCC(C(C)(C)C)CC1)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate?
The InChIKey is KMBLVXLKOKGDFZ-KIHKPCNNSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-22-19(21)17(15-23(5,6)7)12-9-16-10-13-18(14-11-16)20(2,3)4/h9,12,18H,8,10-11,13-15H2,1-7H3/b16-9-,17-12+.
What are the key properties of ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate?
ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate has a molecular weight of 336.59 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(4-tert-butylcyclohexylidene)-2-(trimethylsilylmethyl)but-2-enoate is sourced from PubChem (CID 11186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).