dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane

C12H26O4Si — CID 173197488

IUPACdimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
SMILESCO[SiH](CCCCCCCOCC1CO1)OC
InChIInChI=1S/C12H26O4Si/c1-13-17(14-2)9-7-5-3-4-6-8-15-10-12-11-16-12/h12,17H,3-11H2,1-2H3
InChIKeyVZIAODHWWOJAKZ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.87
Rot. Bonds12

About dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane

dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane (PubChem CID 173197488) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane.

Molecular Properties

Compound Namedimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
PubChem CID173197488
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Namedimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
SMILESCO[SiH](CCCCCCCOCC1CO1)OC
InChIInChI=1S/C12H26O4Si/c1-13-17(14-2)9-7-5-3-4-6-8-15-10-12-11-16-12/h12,17H,3-11H2,1-2H3
InChIKeyVZIAODHWWOJAKZ-UHFFFAOYSA-N
XLogP1.87
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.87
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

2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane?
The IUPAC name of dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane (CID 173197488) is dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane.
What is the SMILES notation for dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane?
The canonical SMILES for dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane is CO[SiH](CCCCCCCOCC1CO1)OC.
What is the InChIKey of dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane?
The InChIKey is VZIAODHWWOJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-13-17(14-2)9-7-5-3-4-6-8-15-10-12-11-16-12/h12,17H,3-11H2,1-2H3.
What are the key properties of dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane?
dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane has a molecular weight of 262.42 g/mol, XLogP of 1.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane is sourced from PubChem (CID 173197488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).