[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

C33H46O4Si — CID 134941910

IUPAC[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCOCOCC(=C\c1ccccc1)/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCOC)c1ccccc1
InChIInChI=1S/C33H46O4Si/c1-26(2)38(27(3)4,28(5)6)20-19-31(22-36-24-34-7)33(30-17-13-10-14-18-30)32(23-37-25-35-8)21-29-15-11-9-12-16-29/h9-18,21,26-28H,22-25H2,1-8H3/b32-21+,33-31+
InChIKeyPYAZGUOZYUFVKR-AXIPGRPQSA-N
MW534.81 g/mol
LogP7.99
Rot. Bonds14

About [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane

[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 134941910) has the molecular formula C33H46O4Si and a molecular weight of 534.81 g/mol. Its IUPAC name is [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
PubChem CID134941910
Molecular FormulaC33H46O4Si
Molecular Weight534.81 g/mol
Exact Mass534.32
IUPAC Name[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
SMILESCOCOCC(=C\c1ccccc1)/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCOC)c1ccccc1
InChIInChI=1S/C33H46O4Si/c1-26(2)38(27(3)4,28(5)6)20-19-31(22-36-24-34-7)33(30-17-13-10-14-18-30)32(23-37-25-35-8)21-29-15-11-9-12-16-29/h9-18,21,26-28H,22-25H2,1-8H3/b32-21+,33-31+
InChIKeyPYAZGUOZYUFVKR-AXIPGRPQSA-N
XLogP7.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.81
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
ethyl (2E)-2-benzylidene-4-tri(propan-2-yl)silylbut-3-ynoate
CID 132525006
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
4-[12-(4-aminophenyl)-6,9-diphenyl-1,14-bis[tri(propan-2-yl)silyl]tetradeca-3,4,5,9,10,11-hexaen-1,7,13-triyn-3-yl]aniline
CID 102335535
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
CID 11738820
[(Z)-3-pentyl-4-phenylsulfanylnon-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 139252406
3-(methoxymethoxy)prop-1-ynyl-tri(propan-2-yl)silane
CID 11253879
[(3Z,5E)-3,5-dimethyl-4,6-diphenylhexa-3,5-dien-1-ynyl]-triethylsilane
CID 177416045
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane (CID 134941910) is [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is COCOCC(=C\c1ccccc1)/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)COCOC)c1ccccc1.
What is the InChIKey of [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is PYAZGUOZYUFVKR-AXIPGRPQSA-N. The full InChI is InChI=1S/C33H46O4Si/c1-26(2)38(27(3)4,28(5)6)20-19-31(22-36-24-34-7)33(30-17-13-10-14-18-30)32(23-37-25-35-8)21-29-15-11-9-12-16-29/h9-18,21,26-28H,22-25H2,1-8H3/b32-21+,33-31+.
What are the key properties of [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane?
[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 534.81 g/mol, XLogP of 7.99, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 134941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).