[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate

C10H20O3Si — CID 123960616

IUPAC[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate
SMILESCC(=O)OC1CC(CC[SiH3])CCC1O
InChIInChI=1S/C10H20O3Si/c1-7(11)13-10-6-8(4-5-14)2-3-9(10)12/h8-10,12H,2-6H2,1,14H3
InChIKeyLXTYCKHAWWPLTM-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.25
Rot. Bonds3

About [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate

[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate (PubChem CID 123960616) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate
PubChem CID123960616
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate
SMILESCC(=O)OC1CC(CC[SiH3])CCC1O
InChIInChI=1S/C10H20O3Si/c1-7(11)13-10-6-8(4-5-14)2-3-9(10)12/h8-10,12H,2-6H2,1,14H3
InChIKeyLXTYCKHAWWPLTM-UHFFFAOYSA-N
XLogP0.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-4-hydroxycyclohexyl)methyl 3-acetyloxy-4-hydroxycyclohexane-1-carboxylate
CID 101149917
[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate
CID 163721445
CID 59733261
CID 59733261
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate
CID 23158021
[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate
CID 14900530
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
CID 10678468
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731
(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate
CID 23158088

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate?
The IUPAC name of [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate (CID 123960616) is [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate.
What is the SMILES notation for [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate?
The canonical SMILES for [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate is CC(=O)OC1CC(CC[SiH3])CCC1O.
What is the InChIKey of [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate?
The InChIKey is LXTYCKHAWWPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-7(11)13-10-6-8(4-5-14)2-3-9(10)12/h8-10,12H,2-6H2,1,14H3.
What are the key properties of [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate?
[2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate has a molecular weight of 216.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-(2-silylethyl)cyclohexyl] acetate is sourced from PubChem (CID 123960616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).