dicyclohexylmethylsilyl hexanoate

C19H36O2Si — CID 150527501

IUPACdicyclohexylmethylsilyl hexanoate
SMILESCCCCCC(=O)O[SiH2]C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O2Si/c1-2-3-6-15-18(20)21-22-19(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h16-17,19H,2-15,22H2,1H3
InChIKeyIDCXZDMCBPYMNW-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.14
Rot. Bonds8

About dicyclohexylmethylsilyl hexanoate

dicyclohexylmethylsilyl hexanoate (PubChem CID 150527501) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is dicyclohexylmethylsilyl hexanoate.

Molecular Properties

Compound Namedicyclohexylmethylsilyl hexanoate
PubChem CID150527501
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Namedicyclohexylmethylsilyl hexanoate
SMILESCCCCCC(=O)O[SiH2]C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O2Si/c1-2-3-6-15-18(20)21-22-19(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h16-17,19H,2-15,22H2,1H3
InChIKeyIDCXZDMCBPYMNW-UHFFFAOYSA-N
XLogP5.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptylethyl undecanoate
CID 173328758
1-cyclohexylethyl tridecanoate
CID 173328864
[cyclobutyl(iodo)methyl] hexadecanoate
CID 172566820
cycloheptylmethyl hexanoate
CID 54549126
cycloheptylmethyl tridecanoate
CID 54548120
1,10-di(cyclooctyl)decyl decanoate
CID 57250235
[2-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298144
cyclobutyl pentadecanoate
CID 46229794
1-cyclohexyl-2-methylidenedodecan-1-ol
CID 101237279
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
[cyclopropyl(iodo)methyl] hexadecanoate
CID 172567192
cyclopentanecarbaldehyde;methyl heptanoate
CID 143522930

Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethylsilyl hexanoate?
The IUPAC name of dicyclohexylmethylsilyl hexanoate (CID 150527501) is dicyclohexylmethylsilyl hexanoate.
What is the SMILES notation for dicyclohexylmethylsilyl hexanoate?
The canonical SMILES for dicyclohexylmethylsilyl hexanoate is CCCCCC(=O)O[SiH2]C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethylsilyl hexanoate?
The InChIKey is IDCXZDMCBPYMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-2-3-6-15-18(20)21-22-19(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h16-17,19H,2-15,22H2,1H3.
What are the key properties of dicyclohexylmethylsilyl hexanoate?
dicyclohexylmethylsilyl hexanoate has a molecular weight of 324.58 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethylsilyl hexanoate is sourced from PubChem (CID 150527501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).