silyl 2,3-dicyclohexyl-2-ethylbutanoate

C18H34O2Si — CID 173470224

IUPACsilyl 2,3-dicyclohexyl-2-ethylbutanoate
SMILESCCC(C(=O)O[SiH3])(C1CCCCC1)C(C)C1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-3-18(17(19)20-21,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h14-16H,3-13H2,1-2,21H3
InChIKeyCSOULLRFFQFDRN-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.00
Rot. Bonds5

About silyl 2,3-dicyclohexyl-2-ethylbutanoate

silyl 2,3-dicyclohexyl-2-ethylbutanoate (PubChem CID 173470224) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is silyl 2,3-dicyclohexyl-2-ethylbutanoate.

Molecular Properties

Compound Namesilyl 2,3-dicyclohexyl-2-ethylbutanoate
PubChem CID173470224
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Namesilyl 2,3-dicyclohexyl-2-ethylbutanoate
SMILESCCC(C(=O)O[SiH3])(C1CCCCC1)C(C)C1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-3-18(17(19)20-21,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h14-16H,3-13H2,1-2,21H3
InChIKeyCSOULLRFFQFDRN-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

silyl 2,3-dicyclopentyl-2-ethylpentanoate
CID 173470022
3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
CID 70869370
silyl 2,2,2-tricyclohexylacetate
CID 123833910
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117
ethyl 2-hydroxy-2-(4-propan-2-ylcycloheptyl)butanoate
CID 79298132
1-O-(2-methylpropyl) 3-O-prop-2-enyl 2,2-dicyclohexylpropanedioate
CID 175121286
2-methylpropyl 2-cyclohexyl-2-methylpropanoate
CID 162502207
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925

Frequently Asked Questions

What is the IUPAC name of silyl 2,3-dicyclohexyl-2-ethylbutanoate?
The IUPAC name of silyl 2,3-dicyclohexyl-2-ethylbutanoate (CID 173470224) is silyl 2,3-dicyclohexyl-2-ethylbutanoate.
What is the SMILES notation for silyl 2,3-dicyclohexyl-2-ethylbutanoate?
The canonical SMILES for silyl 2,3-dicyclohexyl-2-ethylbutanoate is CCC(C(=O)O[SiH3])(C1CCCCC1)C(C)C1CCCCC1.
What is the InChIKey of silyl 2,3-dicyclohexyl-2-ethylbutanoate?
The InChIKey is CSOULLRFFQFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-3-18(17(19)20-21,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h14-16H,3-13H2,1-2,21H3.
What are the key properties of silyl 2,3-dicyclohexyl-2-ethylbutanoate?
silyl 2,3-dicyclohexyl-2-ethylbutanoate has a molecular weight of 310.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,3-dicyclohexyl-2-ethylbutanoate is sourced from PubChem (CID 173470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).