methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate

C18H34O2Si — CID 154721156

IUPACmethyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate
SMILESCOC(=O)C(/C(=C\C(C)(C)C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34O2Si/c1-18(2,3)13-15(14-11-9-8-10-12-14)16(17(19)20-4)21(5,6)7/h13-14,16H,8-12H2,1-7H3/b15-13-
InChIKeyDFZFNSYLRPPQIL-SQFISAMPSA-N
MW310.55 g/mol
LogP5.42
Rot. Bonds4

About methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate

methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate (PubChem CID 154721156) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate
PubChem CID154721156
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Namemethyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate
SMILESCOC(=O)C(/C(=C\C(C)(C)C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C18H34O2Si/c1-18(2,3)13-15(14-11-9-8-10-12-14)16(17(19)20-4)21(5,6)7/h13-14,16H,8-12H2,1-7H3/b15-13-
InChIKeyDFZFNSYLRPPQIL-SQFISAMPSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate?
The IUPAC name of methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate (CID 154721156) is methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate.
What is the SMILES notation for methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate?
The canonical SMILES for methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate is COC(=O)C(/C(=C\C(C)(C)C)C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate?
The InChIKey is DFZFNSYLRPPQIL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-18(2,3)13-15(14-11-9-8-10-12-14)16(17(19)20-4)21(5,6)7/h13-14,16H,8-12H2,1-7H3/b15-13-.
What are the key properties of methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate?
methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate has a molecular weight of 310.55 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhex-3-enoate is sourced from PubChem (CID 154721156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).