3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane

C9H20O6Si — CID 175708401

IUPAC3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane
SMILESCCOC(OCC)(OCC)C(C)O[SiH]1OO1
InChIInChI=1S/C9H20O6Si/c1-5-10-9(11-6-2,12-7-3)8(4)13-16-14-15-16/h8,16H,5-7H2,1-4H3
InChIKeyRLQKFASYGPDNHV-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.83
Rot. Bonds9

About 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane

3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane (PubChem CID 175708401) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane.

Molecular Properties

Compound Name3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane
PubChem CID175708401
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane
SMILESCCOC(OCC)(OCC)C(C)O[SiH]1OO1
InChIInChI=1S/C9H20O6Si/c1-5-10-9(11-6-2,12-7-3)8(4)13-16-14-15-16/h8,16H,5-7H2,1-4H3
InChIKeyRLQKFASYGPDNHV-UHFFFAOYSA-N
XLogP0.83
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diethoxy-methyl-(1,1,1-triethoxypropan-2-yloxy)silane
CID 151989522
(2S)-2-bromo-1,1,1-triethoxypropane
CID 6932530
2-chloro-1,1,1-triethoxypropane
CID 152680412
1,1,1-triethoxypropan-2-ol
CID 87156976
2-bromo-1,1,1-triethoxypropane
CID 2779285
1,1,1-triethoxy-2-(1,1,1-triethoxybutan-2-yldisulfanyl)butane
CID 150368887
3-ethoxy-3-ethyl-4-methylhexane
CID 172859093
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
3-ethoxy-3-ethyl-6-methyloctan-4-one
CID 116747200
2-chloro-1,1,1-triethoxy-2-methoxyethane
CID 57235223
(1,1-diethoxy-2-methylpropyl) triethyl silicate
CID 175465706
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane?
The IUPAC name of 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane (CID 175708401) is 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane.
What is the SMILES notation for 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane?
The canonical SMILES for 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane is CCOC(OCC)(OCC)C(C)O[SiH]1OO1.
What is the InChIKey of 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane?
The InChIKey is RLQKFASYGPDNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6Si/c1-5-10-9(11-6-2,12-7-3)8(4)13-16-14-15-16/h8,16H,5-7H2,1-4H3.
What are the key properties of 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane?
3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane has a molecular weight of 252.34 g/mol, XLogP of 0.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-triethoxypropan-2-yloxy)dioxasilirane is sourced from PubChem (CID 175708401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).