1,3-diethoxybutan-2-yl(trimethyl)silane

C11H26O2Si — CID 173485775

IUPAC1,3-diethoxybutan-2-yl(trimethyl)silane
SMILESCCOCC(C(C)OCC)[Si](C)(C)C
InChIInChI=1S/C11H26O2Si/c1-7-12-9-11(14(4,5)6)10(3)13-8-2/h10-11H,7-9H2,1-6H3
InChIKeyRECBCNFDHILBKX-UHFFFAOYSA-N
MW218.41 g/mol
LogP3.16
Rot. Bonds7

About 1,3-diethoxybutan-2-yl(trimethyl)silane

1,3-diethoxybutan-2-yl(trimethyl)silane (PubChem CID 173485775) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is 1,3-diethoxybutan-2-yl(trimethyl)silane.

Molecular Properties

Compound Name1,3-diethoxybutan-2-yl(trimethyl)silane
PubChem CID173485775
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name1,3-diethoxybutan-2-yl(trimethyl)silane
SMILESCCOCC(C(C)OCC)[Si](C)(C)C
InChIInChI=1S/C11H26O2Si/c1-7-12-9-11(14(4,5)6)10(3)13-8-2/h10-11H,7-9H2,1-6H3
InChIKeyRECBCNFDHILBKX-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.16
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

1,3-diethoxybutan-2-amine
CID 79574517
(2R)-1,2-diethoxypropane
CID 92973991
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
1,2-diethoxy-N,N-dimethylethanamine
CID 88650398
1-ethoxypropan-2-yloxy(trimethyl)silane
CID 91709820
(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
CID 173485738
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
2-ethoxypropane;zinc
CID 174321747
(2-chloro-1-ethoxyethyl)-trimethylsilane
CID 175443672
1,4-diethoxy-2-methylbutane
CID 59899860
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
1-ethoxypropan-2-ylphosphane
CID 89068231

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxybutan-2-yl(trimethyl)silane?
The IUPAC name of 1,3-diethoxybutan-2-yl(trimethyl)silane (CID 173485775) is 1,3-diethoxybutan-2-yl(trimethyl)silane.
What is the SMILES notation for 1,3-diethoxybutan-2-yl(trimethyl)silane?
The canonical SMILES for 1,3-diethoxybutan-2-yl(trimethyl)silane is CCOCC(C(C)OCC)[Si](C)(C)C.
What is the InChIKey of 1,3-diethoxybutan-2-yl(trimethyl)silane?
The InChIKey is RECBCNFDHILBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2Si/c1-7-12-9-11(14(4,5)6)10(3)13-8-2/h10-11H,7-9H2,1-6H3.
What are the key properties of 1,3-diethoxybutan-2-yl(trimethyl)silane?
1,3-diethoxybutan-2-yl(trimethyl)silane has a molecular weight of 218.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxybutan-2-yl(trimethyl)silane is sourced from PubChem (CID 173485775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).