methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate

C15H28O2Si — CID 71578823

IUPACmethyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate
SMILESCOC(=O)C(/C(C)=C\C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(11-13-9-7-6-8-10-13)14(15(16)17-2)18(3,4)5/h11,13-14H,6-10H2,1-5H3/b12-11-
InChIKeyBHWFVRBJHQSAAC-QXMHVHEDSA-N
MW268.47 g/mol
LogP4.39
Rot. Bonds4

About methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate

methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate (PubChem CID 71578823) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate
PubChem CID71578823
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namemethyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate
SMILESCOC(=O)C(/C(C)=C\C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(11-13-9-7-6-8-10-13)14(15(16)17-2)18(3,4)5/h11,13-14H,6-10H2,1-5H3/b12-11-
InChIKeyBHWFVRBJHQSAAC-QXMHVHEDSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.39
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)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate?
The IUPAC name of methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate (CID 71578823) is methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate.
What is the SMILES notation for methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate?
The canonical SMILES for methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate is COC(=O)C(/C(C)=C\C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate?
The InChIKey is BHWFVRBJHQSAAC-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(11-13-9-7-6-8-10-13)14(15(16)17-2)18(3,4)5/h11,13-14H,6-10H2,1-5H3/b12-11-.
What are the key properties of methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate?
methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate has a molecular weight of 268.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-cyclohexyl-3-methyl-2-trimethylsilylbut-3-enoate is sourced from PubChem (CID 71578823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).