methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate

C15H24O3Si — CID 102042451

IUPACmethyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate
SMILESCOC(=O)/C(=C\[Si](C)(C)C)C(=O)C1=C(C)CCCC1
InChIInChI=1S/C15H24O3Si/c1-11-8-6-7-9-12(11)14(16)13(15(17)18-2)10-19(3,4)5/h10H,6-9H2,1-5H3/b13-10-
InChIKeyGVAKSYBYJLGGGA-RAXLEYEMSA-N
MW280.44 g/mol
LogP3.42
Rot. Bonds4

About methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate

methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate (PubChem CID 102042451) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate
PubChem CID102042451
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Namemethyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate
SMILESCOC(=O)/C(=C\[Si](C)(C)C)C(=O)C1=C(C)CCCC1
InChIInChI=1S/C15H24O3Si/c1-11-8-6-7-9-12(11)14(16)13(15(17)18-2)10-19(3,4)5/h10H,6-9H2,1-5H3/b13-10-
InChIKeyGVAKSYBYJLGGGA-RAXLEYEMSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)hex-2-enoate
CID 102089276
dimethyl 2-[(cyclohexylidenemethylamino)methylidene]propanedioate
CID 11425294
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
methyl (E)-3-(2-methylcyclohexen-1-yl)prop-2-enoate
CID 13449438
(E)-4-methyl-1-(2-methylcyclohexen-1-yl)pent-2-en-1-one
CID 101340290
N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide
CID 128897769
methyl 2-[(E)-but-2-enoxy]cyclohexene-1-carboxylate
CID 135078448
methyl 3-(dimethylamino)-2-(pyridine-4-carbonyl)prop-2-enoate
CID 74062379
methyl 2-(dimethylaminomethylidene)-3-oxobutanoate
CID 53395488
[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea
CID 5367480
1-O-methyl 3-O-trimethylsilyl (2E)-2-(cyclohexa-1,3-dien-1-ylmethylidene)propanedioate
CID 148878139
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 14089449

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate?
The IUPAC name of methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate (CID 102042451) is methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate is COC(=O)/C(=C\[Si](C)(C)C)C(=O)C1=C(C)CCCC1.
What is the InChIKey of methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate?
The InChIKey is GVAKSYBYJLGGGA-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-11-8-6-7-9-12(11)14(16)13(15(17)18-2)10-19(3,4)5/h10H,6-9H2,1-5H3/b13-10-.
What are the key properties of methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate?
methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate has a molecular weight of 280.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2-methylcyclohexene-1-carbonyl)-3-trimethylsilylprop-2-enoate is sourced from PubChem (CID 102042451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).