cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate

C23H42O2Si — CID 173470117

IUPACcyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
SMILESCCC(C1CCCCC1)C([SiH3])(C(=O)OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H42O2Si/c1-2-21(18-12-6-3-7-13-18)23(26,19-14-8-4-9-15-19)22(24)25-20-16-10-5-11-17-20/h18-21H,2-17H2,1,26H3
InChIKeyCVWRIELJNOYKAW-UHFFFAOYSA-N
MW378.67 g/mol
LogP5.57
Rot. Bonds6

About cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate

cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate (PubChem CID 173470117) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate.

Molecular Properties

Compound Namecyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
PubChem CID173470117
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Namecyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
SMILESCCC(C1CCCCC1)C([SiH3])(C(=O)OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H42O2Si/c1-2-21(18-12-6-3-7-13-18)23(26,19-14-8-4-9-15-19)22(24)25-20-16-10-5-11-17-20/h18-21H,2-17H2,1,26H3
InChIKeyCVWRIELJNOYKAW-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 55.57
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

cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate
CID 173470078
silyl 2,3-dicyclopentyl-2-ethylpentanoate
CID 173470022
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
CID 173470055
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
1,1,2-tricyclohexylbutoxyboronic acid
CID 67766211
cyclohexyl 2-ethyl-2-propan-2-ylperoxyhexanoate
CID 57072756
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005
3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 67760146
dicyclohexyl 2,2-diethylbutanedioate
CID 175265226
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate?
The IUPAC name of cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate (CID 173470117) is cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate.
What is the SMILES notation for cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate?
The canonical SMILES for cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate is CCC(C1CCCCC1)C([SiH3])(C(=O)OC1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate?
The InChIKey is CVWRIELJNOYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-2-21(18-12-6-3-7-13-18)23(26,19-14-8-4-9-15-19)22(24)25-20-16-10-5-11-17-20/h18-21H,2-17H2,1,26H3.
What are the key properties of cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate?
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate has a molecular weight of 378.67 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate is sourced from PubChem (CID 173470117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).