ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate

C19H34O2Si — CID 101274652

IUPACethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/C1=CCC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-21-18(20)16(14-22(5,6)7)13-15-9-11-17(12-10-15)19(2,3)4/h9,13,17H,8,10-12,14H2,1-7H3/b16-13+
InChIKeyREAPQILWCXDVIK-DTQAZKPQSA-N
MW322.57 g/mol
LogP5.59
Rot. Bonds5

About ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate

ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate (PubChem CID 101274652) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate
PubChem CID101274652
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nameethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate
SMILESCCOC(=O)/C(=C/C1=CCC(C(C)(C)C)CC1)C[Si](C)(C)C
InChIInChI=1S/C19H34O2Si/c1-8-21-18(20)16(14-22(5,6)7)13-15-9-11-17(12-10-15)19(2,3)4/h9,13,17H,8,10-12,14H2,1-7H3/b16-13+
InChIKeyREAPQILWCXDVIK-DTQAZKPQSA-N
XLogP5.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.59
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

Ethyl beta-apo-8'-carotenoate
CID 6391647
all-trans-Carophyll yellow
CID 131751340
Ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
CID 92861
ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienoate
CID 5383971
ethyl (E)-3-(4-tert-butylcyclohexen-1-yl)prop-2-enoate
CID 102513840
Ethyl (2e,6r)-8-[t-butyl(dimethyl)silyloxy]-2,6-dimethyl-4-methylideneoct-2-enoate
CID 129756448
methyl (2Z,4E)-5-(2,6,6-trimethylcyclohexen-1-yl)-3-trimethylsilylpenta-2,4-dienoate
CID 139263849
methyl (2E,4E)-5-(4-tert-butylcyclohexen-1-yl)penta-2,4-dienoate
CID 10988648
[(2Z,4E,8E)-3,7-dimethyl-6-oxo-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,8-trienyl] acetate
CID 11013364
ethyl (E)-3-cyclohexyl-2-(trimethylsilylmethyl)prop-2-enoate
CID 11254193
ethyl (Z)-4-ethyl-2-(trimethylsilylmethyl)oct-2-enoate
CID 12100229
ethyl (E)-3-(2-ethenylcyclohexyl)-2-(trimethylsilylmethyl)prop-2-enoate
CID 12123368

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate (CID 101274652) is ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate is CCOC(=O)/C(=C/C1=CCC(C(C)(C)C)CC1)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate?
The InChIKey is REAPQILWCXDVIK-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-8-21-18(20)16(14-22(5,6)7)13-15-9-11-17(12-10-15)19(2,3)4/h9,13,17H,8,10-12,14H2,1-7H3/b16-13+.
What are the key properties of ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate?
ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate has a molecular weight of 322.57 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-tert-butylcyclohexen-1-yl)-2-(trimethylsilylmethyl)prop-2-enoate is sourced from PubChem (CID 101274652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).