(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

C16H27BrF2OSi — CID 123156800

IUPAC(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1=CCC(F)=C(F)C1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H27BrF2OSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-8-14(18)16(19)15(13)17/h7,10-12,15H,8-9H2,1-6H3
InChIKeyWKGJRNRFYKPRQB-UHFFFAOYSA-N
MW381.38 g/mol
LogP6.42
Rot. Bonds6

About (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 123156800) has the molecular formula C16H27BrF2OSi and a molecular weight of 381.38 g/mol. Its IUPAC name is (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
PubChem CID123156800
Molecular FormulaC16H27BrF2OSi
Molecular Weight381.38 g/mol
Exact Mass380.10
IUPAC Name(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1=CCC(F)=C(F)C1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H27BrF2OSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-8-14(18)16(19)15(13)17/h7,10-12,15H,8-9H2,1-6H3
InChIKeyWKGJRNRFYKPRQB-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 56.42
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (CID 123156800) is (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCC1=CCC(F)=C(F)C1Br)(C(C)C)C(C)C.
What is the InChIKey of (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is WKGJRNRFYKPRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrF2OSi/c1-10(2)21(11(3)4,12(5)6)20-9-13-7-8-14(18)16(19)15(13)17/h7,10-12,15H,8-9H2,1-6H3.
What are the key properties of (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
(6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 381.38 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4,5-difluorocyclohexa-1,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 123156800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).