[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate

C16H30O2Si — CID 123619260

IUPAC[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate
SMILESCC[SiH2]CC1(OC(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C16H30O2Si/c1-2-19-13-16(11-7-4-8-12-16)18-15(17)14-9-5-3-6-10-14/h14H,2-13,19H2,1H3
InChIKeyZYERWMMXICALTR-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.84
Rot. Bonds5

About [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate

[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate (PubChem CID 123619260) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate
PubChem CID123619260
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate
SMILESCC[SiH2]CC1(OC(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C16H30O2Si/c1-2-19-13-16(11-7-4-8-12-16)18-15(17)14-9-5-3-6-10-14/h14H,2-13,19H2,1H3
InChIKeyZYERWMMXICALTR-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate?
The IUPAC name of [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate (CID 123619260) is [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate.
What is the SMILES notation for [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate?
The canonical SMILES for [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate is CC[SiH2]CC1(OC(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate?
The InChIKey is ZYERWMMXICALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-2-19-13-16(11-7-4-8-12-16)18-15(17)14-9-5-3-6-10-14/h14H,2-13,19H2,1H3.
What are the key properties of [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate?
[1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate has a molecular weight of 282.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylsilylmethyl)cyclohexyl] cyclohexanecarboxylate is sourced from PubChem (CID 123619260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).