butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane

C11H24O4Si — CID 175382377

IUPACbutoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
SMILESCCCCO[Si](CCCC1CO1)(OC)OC
InChIInChI=1S/C11H24O4Si/c1-4-5-8-15-16(12-2,13-3)9-6-7-11-10-14-11/h11H,4-10H2,1-3H3
InChIKeyJWMJPECWQROSFE-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.21
Rot. Bonds10

About butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane

butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane (PubChem CID 175382377) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane.

Molecular Properties

Compound Namebutoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
PubChem CID175382377
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Namebutoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
SMILESCCCCO[Si](CCCC1CO1)(OC)OC
InChIInChI=1S/C11H24O4Si/c1-4-5-8-15-16(12-2,13-3)9-6-7-11-10-14-11/h11H,4-10H2,1-3H3
InChIKeyJWMJPECWQROSFE-UHFFFAOYSA-N
XLogP2.21
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

butoxy-butyl-dimethoxysilane
CID 139714527
trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
2-decyloxirane;trimethoxy(oxiran-2-ylmethyl)silane
CID 87793683
trihexyl 4-(oxiran-2-yl)butyl silicate
CID 22098092
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
methoxy-methyl-[2-(oxiran-2-yl)ethyl]-propoxysilane
CID 175371779
(2R)-2-pentyloxirane
CID 11147691
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
butyl-methoxy-dipropoxysilane
CID 18672915
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754

Frequently Asked Questions

What is the IUPAC name of butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane?
The IUPAC name of butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane (CID 175382377) is butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane.
What is the SMILES notation for butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane?
The canonical SMILES for butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane is CCCCO[Si](CCCC1CO1)(OC)OC.
What is the InChIKey of butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane?
The InChIKey is JWMJPECWQROSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-4-5-8-15-16(12-2,13-3)9-6-7-11-10-14-11/h11H,4-10H2,1-3H3.
What are the key properties of butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane?
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane has a molecular weight of 248.39 g/mol, XLogP of 2.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane is sourced from PubChem (CID 175382377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).