[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate

C17H34O6Si — CID 140844082

IUPAC[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate
SMILESCC(=O)OC(CC(CC(OC(C)=O)C(C)C)O[Si](C)(C)O)C(C)C
InChIInChI=1S/C17H34O6Si/c1-11(2)16(21-13(5)18)9-15(23-24(7,8)20)10-17(12(3)4)22-14(6)19/h11-12,15-17,20H,9-10H2,1-8H3
InChIKeySWWYXJAQGGKLCV-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.02
Rot. Bonds10

About [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate

[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate (PubChem CID 140844082) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate.

Molecular Properties

Compound Name[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate
PubChem CID140844082
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate
SMILESCC(=O)OC(CC(CC(OC(C)=O)C(C)C)O[Si](C)(C)O)C(C)C
InChIInChI=1S/C17H34O6Si/c1-11(2)16(21-13(5)18)9-15(23-24(7,8)20)10-17(12(3)4)22-14(6)19/h11-12,15-17,20H,9-10H2,1-8H3
InChIKeySWWYXJAQGGKLCV-UHFFFAOYSA-N
XLogP3.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate?
The IUPAC name of [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate (CID 140844082) is [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate.
What is the SMILES notation for [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate?
The canonical SMILES for [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate is CC(=O)OC(CC(CC(OC(C)=O)C(C)C)O[Si](C)(C)O)C(C)C.
What is the InChIKey of [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate?
The InChIKey is SWWYXJAQGGKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-11(2)16(21-13(5)18)9-15(23-24(7,8)20)10-17(12(3)4)22-14(6)19/h11-12,15-17,20H,9-10H2,1-8H3.
What are the key properties of [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate?
[7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate has a molecular weight of 362.54 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-acetyloxy-5-[hydroxy(dimethyl)silyl]oxy-2,8-dimethylnonan-3-yl] acetate is sourced from PubChem (CID 140844082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).