2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane

C18H38O5Si — CID 87793683

IUPAC2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
SMILESCCCCCCCCCCC1CO1.CO[Si](CC1CO1)(OC)OC
InChIInChI=1S/C12H24O.C6H14O4Si/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;1-7-11(8-2,9-3)5-6-4-10-6/h12H,2-11H2,1H3;6H,4-5H2,1-3H3
InChIKeyILCDJQRATIVYNT-UHFFFAOYSA-N
MW362.58 g/mol
LogP4.18
Rot. Bonds14

About 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane

2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane (PubChem CID 87793683) has the molecular formula C18H38O5Si and a molecular weight of 362.58 g/mol. Its IUPAC name is 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane.

Molecular Properties

Compound Name2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
PubChem CID87793683
Molecular FormulaC18H38O5Si
Molecular Weight362.58 g/mol
Exact Mass362.25
IUPAC Name2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
SMILESCCCCCCCCCCC1CO1.CO[Si](CC1CO1)(OC)OC
InChIInChI=1S/C12H24O.C6H14O4Si/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;1-7-11(8-2,9-3)5-6-4-10-6/h12H,2-11H2,1H3;6H,4-5H2,1-3H3
InChIKeyILCDJQRATIVYNT-UHFFFAOYSA-N
XLogP4.18
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;oxirane
CID 175319175
trihexyl 4-(oxiran-2-yl)butyl silicate
CID 22098092

Frequently Asked Questions

What is the IUPAC name of 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane?
The IUPAC name of 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane (CID 87793683) is 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane.
What is the SMILES notation for 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane?
The canonical SMILES for 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane is CCCCCCCCCCC1CO1.CO[Si](CC1CO1)(OC)OC.
What is the InChIKey of 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane?
The InChIKey is ILCDJQRATIVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C6H14O4Si/c1-2-3-4-5-6-7-8-9-10-12-11-13-12;1-7-11(8-2,9-3)5-6-4-10-6/h12H,2-11H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane?
2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane has a molecular weight of 362.58 g/mol, XLogP of 4.18, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane is sourced from PubChem (CID 87793683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).