[butyl-di(propan-2-yl)silyl] acetate

C12H26O2Si — CID 87113830

IUPAC[butyl-di(propan-2-yl)silyl] acetate
SMILESCCCC[Si](OC(C)=O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-9-15(10(2)3,11(4)5)14-12(6)13/h10-11H,7-9H2,1-6H3
InChIKeyCZCMBCWATBAEDM-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds6

About [butyl-di(propan-2-yl)silyl] acetate

[butyl-di(propan-2-yl)silyl] acetate (PubChem CID 87113830) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is [butyl-di(propan-2-yl)silyl] acetate.

Molecular Properties

Compound Name[butyl-di(propan-2-yl)silyl] acetate
PubChem CID87113830
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name[butyl-di(propan-2-yl)silyl] acetate
SMILESCCCC[Si](OC(C)=O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-7-8-9-15(10(2)3,11(4)5)14-12(6)13/h10-11H,7-9H2,1-6H3
InChIKeyCZCMBCWATBAEDM-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
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

[butyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900059
[butyl(dimethyl)silyl] acetate
CID 22926546
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314
[octadecyl-di(propan-2-yl)silyl] prop-2-enoate
CID 87900076
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
tridodecylsilyl acetate
CID 22926548
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
CID 66773624
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
CID 155659361
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669

Frequently Asked Questions

What is the IUPAC name of [butyl-di(propan-2-yl)silyl] acetate?
The IUPAC name of [butyl-di(propan-2-yl)silyl] acetate (CID 87113830) is [butyl-di(propan-2-yl)silyl] acetate.
What is the SMILES notation for [butyl-di(propan-2-yl)silyl] acetate?
The canonical SMILES for [butyl-di(propan-2-yl)silyl] acetate is CCCC[Si](OC(C)=O)(C(C)C)C(C)C.
What is the InChIKey of [butyl-di(propan-2-yl)silyl] acetate?
The InChIKey is CZCMBCWATBAEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-8-9-15(10(2)3,11(4)5)14-12(6)13/h10-11H,7-9H2,1-6H3.
What are the key properties of [butyl-di(propan-2-yl)silyl] acetate?
[butyl-di(propan-2-yl)silyl] acetate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-di(propan-2-yl)silyl] acetate is sourced from PubChem (CID 87113830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).