dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane

C13H26O3Si — CID 173466306

IUPACdimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane
SMILESCO[SiH](OC)C(C)CCCC1CCC2OC2C1
InChIInChI=1S/C13H26O3Si/c1-10(17(14-2)15-3)5-4-6-11-7-8-12-13(9-11)16-12/h10-13,17H,4-9H2,1-3H3
InChIKeyNUDOFOBUSFQYEX-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.63
Rot. Bonds7

About dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane

dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane (PubChem CID 173466306) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane.

Molecular Properties

Compound Namedimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane
PubChem CID173466306
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namedimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane
SMILESCO[SiH](OC)C(C)CCCC1CCC2OC2C1
InChIInChI=1S/C13H26O3Si/c1-10(17(14-2)15-3)5-4-6-11-7-8-12-13(9-11)16-12/h10-13,17H,4-9H2,1-3H3
InChIKeyNUDOFOBUSFQYEX-UHFFFAOYSA-N
XLogP2.63
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
2-methoxy-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-1-ol
CID 174911718
2,2-dimethoxyethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 123346653
3-[19-(7-oxabicyclo[4.1.0]heptan-3-yl)-10-[9-(6-oxabicyclo[3.1.1]heptan-3-yl)nonyl]nonadecyl]-7-oxabicyclo[4.1.0]heptane
CID 123348890
3-[3-(1,1-dimethoxyethyl)undecyl]-7-oxabicyclo[4.1.0]heptane
CID 150483241
trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
CID 141284988
3-(3,3,3-trimethoxypropyl)-7-oxabicyclo[4.1.0]heptane
CID 146705904
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
8-(7-oxabicyclo[4.1.0]heptan-3-yl)octyl 2-methyl-4-(3-methyloxiran-2-yl)butanoate
CID 89360617
3-[3-[tris(methylperoxy)methyl]undecyl]-7-oxabicyclo[4.1.0]heptane
CID 150365228
diethoxy-hydroxy-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yloxy]silane
CID 140618851

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane?
The IUPAC name of dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane (CID 173466306) is dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane.
What is the SMILES notation for dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane?
The canonical SMILES for dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane is CO[SiH](OC)C(C)CCCC1CCC2OC2C1.
What is the InChIKey of dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane?
The InChIKey is NUDOFOBUSFQYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(17(14-2)15-3)5-4-6-11-7-8-12-13(9-11)16-12/h10-13,17H,4-9H2,1-3H3.
What are the key properties of dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane?
dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane has a molecular weight of 258.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane is sourced from PubChem (CID 173466306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).