[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane

C24H42O2Si — CID 15236554

IUPAC[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESCOc1ccc(C/C=C(\C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C24H42O2Si/c1-19(2)27(20(3)4,21(5)6)26-18-10-9-11-22(7)12-13-23-14-16-24(25-8)17-15-23/h12,14-17,19-21H,9-11,13,18H2,1-8H3/b22-12+
InChIKeyFPCAPHBFWUAXOB-WSDLNYQXSA-N
MW390.68 g/mol
LogP7.55
Rot. Bonds12

About [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane

[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane (PubChem CID 15236554) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
PubChem CID15236554
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Name[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESCOc1ccc(C/C=C(\C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C24H42O2Si/c1-19(2)27(20(3)4,21(5)6)26-18-10-9-11-22(7)12-13-23-14-16-24(25-8)17-15-23/h12,14-17,19-21H,9-11,13,18H2,1-8H3/b22-12+
InChIKeyFPCAPHBFWUAXOB-WSDLNYQXSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-7-(3-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965439
1-methoxy-4-[(Z)-3-methyl-5-methylidenenon-2-enyl]benzene
CID 101489996
1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
CID 69088540
3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane
CID 10951251
methyl (E,5R)-5-[(4-methoxyphenyl)methoxy]-7-tri(propan-2-yl)silyloxyhept-2-enoate
CID 24905826
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
(5E)-2-[(4-methoxyphenyl)methoxymethyl]-6,10-dimethylundeca-1,5,10-trien-4-ol
CID 71662031
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
CID 25243104
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852

Frequently Asked Questions

What is the IUPAC name of [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane (CID 15236554) is [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane is COc1ccc(C/C=C(\C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The InChIKey is FPCAPHBFWUAXOB-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H42O2Si/c1-19(2)27(20(3)4,21(5)6)26-18-10-9-11-22(7)12-13-23-14-16-24(25-8)17-15-23/h12,14-17,19-21H,9-11,13,18H2,1-8H3/b22-12+.
What are the key properties of [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane has a molecular weight of 390.68 g/mol, XLogP of 7.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 15236554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).