heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane

C15H34O2Si — CID 91698390

IUPACheptan-3-yloxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCC(CC)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C15H34O2Si/c1-7-9-12-15(8-2)17-18(5,6)16-13-10-11-14(3)4/h14-15H,7-13H2,1-6H3
InChIKeyCISKEPMWGVVBNX-UHFFFAOYSA-N
MW274.52 g/mol
LogP5.13
Rot. Bonds11

About heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane

heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698390) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Nameheptan-3-yloxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91698390
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Nameheptan-3-yloxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCC(CC)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C15H34O2Si/c1-7-9-12-15(8-2)17-18(5,6)16-13-10-11-14(3)4/h14-15H,7-13H2,1-6H3
InChIKeyCISKEPMWGVVBNX-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.13
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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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
4-Methyl-2-pentanol, TMS derivative
CID 13860854
Dimethylpyrrolbis[(2-methylpentyl)oxy]morphosilane
CID 91697347
Silane, dimethylisobutoxyisohexyloxy-
CID 91698388
Silane, dimethyl(2-methylbutoxy)isohexyloxy-
CID 91698394
Silane, dimethyldiisohexyloxy-
CID 91698398
Silane, dimethyl(3-methylpentyloxy)isohexyloxy-
CID 91698399
Silane, diethylisohexyloxy(2-methylbutoxy)-
CID 91698400
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethylisobutoxy(4-octyloxy)-
CID 91699659

Frequently Asked Questions

What is the IUPAC name of heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane (CID 91698390) is heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane is CCCCC(CC)O[Si](C)(C)OCCCC(C)C.
What is the InChIKey of heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is CISKEPMWGVVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-7-9-12-15(8-2)17-18(5,6)16-13-10-11-14(3)4/h14-15H,7-13H2,1-6H3.
What are the key properties of heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane?
heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 274.52 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-yloxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).