ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane

C13H28O2Si — CID 86200658

IUPACethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane
SMILESCC[Si](C)(C)CCCCOC1CCCCO1
InChIInChI=1S/C13H28O2Si/c1-4-16(2,3)12-8-7-11-15-13-9-5-6-10-14-13/h13H,4-12H2,1-3H3
InChIKeyDMQVGHVBKAQCNQ-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.04
Rot. Bonds7

About ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane

ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane (PubChem CID 86200658) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane.

Molecular Properties

Compound Nameethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane
PubChem CID86200658
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nameethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane
SMILESCC[Si](C)(C)CCCCOC1CCCCO1
InChIInChI=1S/C13H28O2Si/c1-4-16(2,3)12-8-7-11-15-13-9-5-6-10-14-13/h13H,4-12H2,1-3H3
InChIKeyDMQVGHVBKAQCNQ-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.04
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane?
The IUPAC name of ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane (CID 86200658) is ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane.
What is the SMILES notation for ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane?
The canonical SMILES for ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane is CC[Si](C)(C)CCCCOC1CCCCO1.
What is the InChIKey of ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane?
The InChIKey is DMQVGHVBKAQCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-4-16(2,3)12-8-7-11-15-13-9-5-6-10-14-13/h13H,4-12H2,1-3H3.
What are the key properties of ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane?
ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane has a molecular weight of 244.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[4-(oxan-2-yloxy)butyl]silane is sourced from PubChem (CID 86200658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).