silyl 2,3-dicyclopentyl-2-ethylpentanoate

C17H32O2Si — CID 173470022

IUPACsilyl 2,3-dicyclopentyl-2-ethylpentanoate
SMILESCCC(C1CCCC1)C(CC)(C(=O)O[SiH3])C1CCCC1
InChIInChI=1S/C17H32O2Si/c1-3-15(13-9-5-6-10-13)17(4-2,16(18)19-20)14-11-7-8-12-14/h13-15H,3-12H2,1-2,20H3
InChIKeyCALXPZDLJIPHFK-UHFFFAOYSA-N
MW296.53 g/mol
LogP3.61
Rot. Bonds6

About silyl 2,3-dicyclopentyl-2-ethylpentanoate

silyl 2,3-dicyclopentyl-2-ethylpentanoate (PubChem CID 173470022) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is silyl 2,3-dicyclopentyl-2-ethylpentanoate.

Molecular Properties

Compound Namesilyl 2,3-dicyclopentyl-2-ethylpentanoate
PubChem CID173470022
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Namesilyl 2,3-dicyclopentyl-2-ethylpentanoate
SMILESCCC(C1CCCC1)C(CC)(C(=O)O[SiH3])C1CCCC1
InChIInChI=1S/C17H32O2Si/c1-3-15(13-9-5-6-10-13)17(4-2,16(18)19-20)14-11-7-8-12-14/h13-15H,3-12H2,1-2,20H3
InChIKeyCALXPZDLJIPHFK-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 53.61
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-dicyclohexyl-2-ethylbutanoate
CID 173470224
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117
1,1,2-tricyclohexylbutoxyboronic acid
CID 67766211
3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
CID 70869370
silyl 2,2,2-tricyclohexylacetate
CID 123833910
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005
cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate
CID 173470078
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
4-cyclohexylhexan-3-one
CID 121006778
3-butoxycarbonyl-3-cyclopentyl-2-ethylheptanoic acid
CID 70926011
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497

Frequently Asked Questions

What is the IUPAC name of silyl 2,3-dicyclopentyl-2-ethylpentanoate?
The IUPAC name of silyl 2,3-dicyclopentyl-2-ethylpentanoate (CID 173470022) is silyl 2,3-dicyclopentyl-2-ethylpentanoate.
What is the SMILES notation for silyl 2,3-dicyclopentyl-2-ethylpentanoate?
The canonical SMILES for silyl 2,3-dicyclopentyl-2-ethylpentanoate is CCC(C1CCCC1)C(CC)(C(=O)O[SiH3])C1CCCC1.
What is the InChIKey of silyl 2,3-dicyclopentyl-2-ethylpentanoate?
The InChIKey is CALXPZDLJIPHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-3-15(13-9-5-6-10-13)17(4-2,16(18)19-20)14-11-7-8-12-14/h13-15H,3-12H2,1-2,20H3.
What are the key properties of silyl 2,3-dicyclopentyl-2-ethylpentanoate?
silyl 2,3-dicyclopentyl-2-ethylpentanoate has a molecular weight of 296.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,3-dicyclopentyl-2-ethylpentanoate is sourced from PubChem (CID 173470022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).