[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate

C15H28O5Si — CID 70183931

IUPAC[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate
SMILESCCCC1CCC(C)CC1O[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H28O5Si/c1-6-7-14-9-8-11(2)10-15(14)20-21(5,18-12(3)16)19-13(4)17/h11,14-15H,6-10H2,1-5H3
InChIKeyQIUKUGFDUVBHCR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.30
Rot. Bonds6

About [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate

[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate (PubChem CID 70183931) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate
PubChem CID70183931
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate
SMILESCCCC1CCC(C)CC1O[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C15H28O5Si/c1-6-7-14-9-8-11(2)10-15(14)20-21(5,18-12(3)16)19-13(4)17/h11,14-15H,6-10H2,1-5H3
InChIKeyQIUKUGFDUVBHCR-UHFFFAOYSA-N
XLogP3.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate?
The IUPAC name of [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate (CID 70183931) is [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate.
What is the SMILES notation for [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate?
The canonical SMILES for [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate is CCCC1CCC(C)CC1O[Si](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate?
The InChIKey is QIUKUGFDUVBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-6-7-14-9-8-11(2)10-15(14)20-21(5,18-12(3)16)19-13(4)17/h11,14-15H,6-10H2,1-5H3.
What are the key properties of [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate?
[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate has a molecular weight of 316.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate is sourced from PubChem (CID 70183931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).