[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane

C18H35BrOSi — CID 146162999

IUPAC[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
SMILESC/C=C(/C)[C@H](C/C=C(\C)Br)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35BrOSi/c1-10-16(8)18(12-11-17(9)19)20-21(13(2)3,14(4)5)15(6)7/h10-11,13-15,18H,12H2,1-9H3/b16-10-,17-11+/t18-/m0/s1
InChIKeyPKCHLKCJJRFYJF-ZWUCSLKTSA-N
MW375.47 g/mol
LogP7.20
Rot. Bonds8

About [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane

[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 146162999) has the molecular formula C18H35BrOSi and a molecular weight of 375.47 g/mol. Its IUPAC name is [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID146162999
Molecular FormulaC18H35BrOSi
Molecular Weight375.47 g/mol
Exact Mass374.16
IUPAC Name[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane
SMILESC/C=C(/C)[C@H](C/C=C(\C)Br)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35BrOSi/c1-10-16(8)18(12-11-17(9)19)20-21(13(2)3,14(4)5)15(6)7/h10-11,13-15,18H,12H2,1-9H3/b16-10-,17-11+/t18-/m0/s1
InChIKeyPKCHLKCJJRFYJF-ZWUCSLKTSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
(1S)-3-Bromo-3-cyclopenten-1-YL tert-butyl(dimethyl)silyl ether
CID 10880391
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
6,10-Dimethylundeca-5,9-dien-4-yloxy(triethyl)silane
CID 73038104
[(5E)-6,10-dimethylundeca-1,5,9-trien-3-yl]oxy-triethylsilane
CID 134905926
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
CID 134945498
triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020837
[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
CID 135020838
triethyl-[(2E)-1-(2-methylprop-2-enyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020841

Frequently Asked Questions

What is the IUPAC name of [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane (CID 146162999) is [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane is C/C=C(/C)[C@H](C/C=C(\C)Br)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is PKCHLKCJJRFYJF-ZWUCSLKTSA-N. The full InChI is InChI=1S/C18H35BrOSi/c1-10-16(8)18(12-11-17(9)19)20-21(13(2)3,14(4)5)15(6)7/h10-11,13-15,18H,12H2,1-9H3/b16-10-,17-11+/t18-/m0/s1.
What are the key properties of [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane?
[(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 375.47 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4S,6E)-7-bromo-3-methylocta-2,6-dien-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 146162999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).