(2-butylcyclododecen-1-yl)oxy-dimethylsilane

C18H36OSi — CID 173114393

IUPAC(2-butylcyclododecen-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C(O[SiH](C)C)CCCCCCCCCC1
InChIInChI=1S/C18H36OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h20H,4-16H2,1-3H3
InChIKeyJMVWJFRGTUUKFG-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.35
Rot. Bonds5

About (2-butylcyclododecen-1-yl)oxy-dimethylsilane

(2-butylcyclododecen-1-yl)oxy-dimethylsilane (PubChem CID 173114393) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is (2-butylcyclododecen-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Name(2-butylcyclododecen-1-yl)oxy-dimethylsilane
PubChem CID173114393
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name(2-butylcyclododecen-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C(O[SiH](C)C)CCCCCCCCCC1
InChIInChI=1S/C18H36OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h20H,4-16H2,1-3H3
InChIKeyJMVWJFRGTUUKFG-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.35
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 (2-butylcyclododecen-1-yl)oxy-dimethylsilane?
The IUPAC name of (2-butylcyclododecen-1-yl)oxy-dimethylsilane (CID 173114393) is (2-butylcyclododecen-1-yl)oxy-dimethylsilane.
What is the SMILES notation for (2-butylcyclododecen-1-yl)oxy-dimethylsilane?
The canonical SMILES for (2-butylcyclododecen-1-yl)oxy-dimethylsilane is CCCCC1=C(O[SiH](C)C)CCCCCCCCCC1.
What is the InChIKey of (2-butylcyclododecen-1-yl)oxy-dimethylsilane?
The InChIKey is JMVWJFRGTUUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-4-5-14-17-15-12-10-8-6-7-9-11-13-16-18(17)19-20(2)3/h20H,4-16H2,1-3H3.
What are the key properties of (2-butylcyclododecen-1-yl)oxy-dimethylsilane?
(2-butylcyclododecen-1-yl)oxy-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclododecen-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 173114393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).