1-(6-ethyldecan-3-yloxy)-1-methylsilinane

C18H38OSi — CID 598720

IUPAC1-(6-ethyldecan-3-yloxy)-1-methylsilinane
SMILESCCCCC(CC)CCC(CC)O[Si]1(C)CCCCC1
InChIInChI=1S/C18H38OSi/c1-5-8-12-17(6-2)13-14-18(7-3)19-20(4)15-10-9-11-16-20/h17-18H,5-16H2,1-4H3
InChIKeySREQSJUXNUSPIT-UHFFFAOYSA-N
MW298.59 g/mol
LogP6.54
Rot. Bonds10

About 1-(6-ethyldecan-3-yloxy)-1-methylsilinane

1-(6-ethyldecan-3-yloxy)-1-methylsilinane (PubChem CID 598720) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is 1-(6-ethyldecan-3-yloxy)-1-methylsilinane.

Molecular Properties

Compound Name1-(6-ethyldecan-3-yloxy)-1-methylsilinane
PubChem CID598720
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Name1-(6-ethyldecan-3-yloxy)-1-methylsilinane
SMILESCCCCC(CC)CCC(CC)O[Si]1(C)CCCCC1
InChIInChI=1S/C18H38OSi/c1-5-8-12-17(6-2)13-14-18(7-3)19-20(4)15-10-9-11-16-20/h17-18H,5-16H2,1-4H3
InChIKeySREQSJUXNUSPIT-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyldecan-3-yloxy)-1-methylsilinane?
The IUPAC name of 1-(6-ethyldecan-3-yloxy)-1-methylsilinane (CID 598720) is 1-(6-ethyldecan-3-yloxy)-1-methylsilinane.
What is the SMILES notation for 1-(6-ethyldecan-3-yloxy)-1-methylsilinane?
The canonical SMILES for 1-(6-ethyldecan-3-yloxy)-1-methylsilinane is CCCCC(CC)CCC(CC)O[Si]1(C)CCCCC1.
What is the InChIKey of 1-(6-ethyldecan-3-yloxy)-1-methylsilinane?
The InChIKey is SREQSJUXNUSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38OSi/c1-5-8-12-17(6-2)13-14-18(7-3)19-20(4)15-10-9-11-16-20/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-(6-ethyldecan-3-yloxy)-1-methylsilinane?
1-(6-ethyldecan-3-yloxy)-1-methylsilinane has a molecular weight of 298.59 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyldecan-3-yloxy)-1-methylsilinane is sourced from PubChem (CID 598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).