[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane

C18H35BrOSi — CID 173081213

IUPAC[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane
SMILESC[SiH](C)C(C)(C)COC(CCCBr)C1(CC2CC2)CCC1
InChIInChI=1S/C18H35BrOSi/c1-17(2,21(3)4)14-20-16(7-5-12-19)18(10-6-11-18)13-15-8-9-15/h15-16,21H,5-14H2,1-4H3
InChIKeyXHOKWRPDVCTPFW-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.78
Rot. Bonds10

About [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane

[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173081213) has the molecular formula C18H35BrOSi and a molecular weight of 375.47 g/mol. Its IUPAC name is [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane
PubChem CID173081213
Molecular FormulaC18H35BrOSi
Molecular Weight375.47 g/mol
Exact Mass374.16
IUPAC Name[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane
SMILESC[SiH](C)C(C)(C)COC(CCCBr)C1(CC2CC2)CCC1
InChIInChI=1S/C18H35BrOSi/c1-17(2,21(3)4)14-20-16(7-5-12-19)18(10-6-11-18)13-15-8-9-15/h15-16,21H,5-14H2,1-4H3
InChIKeyXHOKWRPDVCTPFW-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane (CID 173081213) is [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane is C[SiH](C)C(C)(C)COC(CCCBr)C1(CC2CC2)CCC1.
What is the InChIKey of [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is XHOKWRPDVCTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BrOSi/c1-17(2,21(3)4)14-20-16(7-5-12-19)18(10-6-11-18)13-15-8-9-15/h15-16,21H,5-14H2,1-4H3.
What are the key properties of [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane?
[1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 375.47 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-1-[1-(cyclopropylmethyl)cyclobutyl]butoxy]-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173081213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).