3-hexyldioxasilirane

C6H14O2Si — CID 123402842

IUPAC3-hexyldioxasilirane
SMILESCCCCCC[SiH]1OO1
InChIInChI=1S/C6H14O2Si/c1-2-3-4-5-6-9-7-8-9/h9H,2-6H2,1H3
InChIKeyBXCBASRIGCIBPR-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.75
Rot. Bonds5

About 3-hexyldioxasilirane

3-hexyldioxasilirane (PubChem CID 123402842) has the molecular formula C6H14O2Si and a molecular weight of 146.26 g/mol. Its IUPAC name is 3-hexyldioxasilirane.

Molecular Properties

Compound Name3-hexyldioxasilirane
PubChem CID123402842
Molecular FormulaC6H14O2Si
Molecular Weight146.26 g/mol
Exact Mass146.08
IUPAC Name3-hexyldioxasilirane
SMILESCCCCCC[SiH]1OO1
InChIInChI=1S/C6H14O2Si/c1-2-3-4-5-6-9-7-8-9/h9H,2-6H2,1H3
InChIKeyBXCBASRIGCIBPR-UHFFFAOYSA-N
XLogP1.75
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecane;dihydrobromide
CID 172838591
2-undecyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 173048202
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of 3-hexyldioxasilirane?
The IUPAC name of 3-hexyldioxasilirane (CID 123402842) is 3-hexyldioxasilirane.
What is the SMILES notation for 3-hexyldioxasilirane?
The canonical SMILES for 3-hexyldioxasilirane is CCCCCC[SiH]1OO1.
What is the InChIKey of 3-hexyldioxasilirane?
The InChIKey is BXCBASRIGCIBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2Si/c1-2-3-4-5-6-9-7-8-9/h9H,2-6H2,1H3.
What are the key properties of 3-hexyldioxasilirane?
3-hexyldioxasilirane has a molecular weight of 146.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyldioxasilirane is sourced from PubChem (CID 123402842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).