butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate

C19H34O3Si — CID 54705465

IUPACbutyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate
SMILESCCCCOC(=O)C1=C(O)CC(CCCC)/C(=C\[Si](C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-6-8-10-15-13-18(20)17(19(21)22-11-9-7-2)12-16(15)14-23(3,4)5/h14-15,20H,6-13H2,1-5H3/b16-14-
InChIKeyOGCXFUWYZASMBI-PEZBUJJGSA-N
MW338.56 g/mol
LogP5.55
Rot. Bonds8

About butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate

butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate (PubChem CID 54705465) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate.

Molecular Properties

Compound Namebutyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate
PubChem CID54705465
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Namebutyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate
SMILESCCCCOC(=O)C1=C(O)CC(CCCC)/C(=C\[Si](C)(C)C)C1
InChIInChI=1S/C19H34O3Si/c1-6-8-10-15-13-18(20)17(19(21)22-11-9-7-2)12-16(15)14-23(3,4)5/h14-15,20H,6-13H2,1-5H3/b16-14-
InChIKeyOGCXFUWYZASMBI-PEZBUJJGSA-N
XLogP5.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate with MolForge

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Related Compounds

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CID 174597223
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dibutyl cyclohexa-1,4-diene-1,2-dicarboxylate
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dioctyl 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylate
CID 142708630
butyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
CID 142685966
butyl 4-hydroxy-1,3-thiazole-2-carboxylate
CID 172999884
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
acetic acid;dibutyl oxalate
CID 175057200
butyl 2-methylpyrazole-3-carboxylate
CID 58764675
1-butoxyethenyl 2-methylprop-2-enoate
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dibutyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 11109672

Frequently Asked Questions

What is the IUPAC name of butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate?
The IUPAC name of butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate (CID 54705465) is butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate.
What is the SMILES notation for butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate?
The canonical SMILES for butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate is CCCCOC(=O)C1=C(O)CC(CCCC)/C(=C\[Si](C)(C)C)C1.
What is the InChIKey of butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate?
The InChIKey is OGCXFUWYZASMBI-PEZBUJJGSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-6-8-10-15-13-18(20)17(19(21)22-11-9-7-2)12-16(15)14-23(3,4)5/h14-15,20H,6-13H2,1-5H3/b16-14-.
What are the key properties of butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate?
butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate has a molecular weight of 338.56 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (5Z)-4-butyl-2-hydroxy-5-(trimethylsilylmethylidene)cyclohexene-1-carboxylate is sourced from PubChem (CID 54705465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).