propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate

C15H32O2Si — CID 173469968

IUPACpropan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate
SMILESCCCC(C(C)C)C([SiH3])(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-13(10(2)3)15(18,11(4)5)14(16)17-12(6)7/h10-13H,8-9H2,1-7,18H3
InChIKeyJFQQGODYAMGVKS-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.19
Rot. Bonds7

About propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate

propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate (PubChem CID 173469968) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate
PubChem CID173469968
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Namepropan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate
SMILESCCCC(C(C)C)C([SiH3])(C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-13(10(2)3)15(18,11(4)5)14(16)17-12(6)7/h10-13H,8-9H2,1-7,18H3
InChIKeyJFQQGODYAMGVKS-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.19
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

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CID 23325886
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate?
The IUPAC name of propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate (CID 173469968) is propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate.
What is the SMILES notation for propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate?
The canonical SMILES for propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate is CCCC(C(C)C)C([SiH3])(C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate?
The InChIKey is JFQQGODYAMGVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-9-13(10(2)3)15(18,11(4)5)14(16)17-12(6)7/h10-13H,8-9H2,1-7,18H3.
What are the key properties of propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate?
propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate has a molecular weight of 272.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate is sourced from PubChem (CID 173469968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).