trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane

C31H56SiSn — CID 177407305

IUPACtrimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
SMILESCCCCCC/C=C(C(=C/c1ccccc1)/[Sn](CCCC)(CCCC)CCCC)\[Si](C)(C)C
InChIInChI=1S/C19H29Si.3C4H9.Sn/c1-5-6-7-8-12-15-19(20(2,3)4)17-16-18-13-10-9-11-14-18;3*1-3-4-2;/h9-11,13-16H,5-8,12H2,1-4H3;3*1,3-4H2,2H3;/b17-16?,19-15-;;;;
InChIKeyBRDRBKCPAULBKH-DQILKSDISA-N
MW575.59 g/mol
LogP11.23
Rot. Bonds18

About trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane

trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane (PubChem CID 177407305) has the molecular formula C31H56SiSn and a molecular weight of 575.59 g/mol. Its IUPAC name is trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
PubChem CID177407305
Molecular FormulaC31H56SiSn
Molecular Weight575.59 g/mol
Exact Mass576.32
IUPAC Nametrimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
SMILESCCCCCC/C=C(C(=C/c1ccccc1)/[Sn](CCCC)(CCCC)CCCC)\[Si](C)(C)C
InChIInChI=1S/C19H29Si.3C4H9.Sn/c1-5-6-7-8-12-15-19(20(2,3)4)17-16-18-13-10-9-11-14-18;3*1-3-4-2;/h9-11,13-16H,5-8,12H2,1-4H3;3*1,3-4H2,2H3;/b17-16?,19-15-;;;;
InChIKeyBRDRBKCPAULBKH-DQILKSDISA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.59
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane
CID 177423800
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
trimethyl-[(1E,3Z)-1-phenyldeca-1,3-dien-3-yl]silane
CID 11437654
trimethyl-[(E)-1-tributylstannyloct-1-enyl]silane
CID 177468758
(Z)-2-trimethylsilylnon-2-enoic acid
CID 10988027
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
tributyl-[(E)-1-butyltellanyl-2-phenylethenyl]stannane
CID 10507405
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
[(E,3E)-3-(benzenesulfonylmethylidene)-5-methoxy-1-phenylpent-1-en-2-yl]-tributylstannane
CID 57326464
[2-[(E)-2-phenyl-1-tributylstannylethenyl]phenyl]methanol
CID 12026187
[(E)-octadec-1-enyl]benzene
CID 22722345

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane?
The IUPAC name of trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane (CID 177407305) is trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane.
What is the SMILES notation for trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane?
The canonical SMILES for trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane is CCCCCC/C=C(C(=C/c1ccccc1)/[Sn](CCCC)(CCCC)CCCC)\[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane?
The InChIKey is BRDRBKCPAULBKH-DQILKSDISA-N. The full InChI is InChI=1S/C19H29Si.3C4H9.Sn/c1-5-6-7-8-12-15-19(20(2,3)4)17-16-18-13-10-9-11-14-18;3*1-3-4-2;/h9-11,13-16H,5-8,12H2,1-4H3;3*1,3-4H2,2H3;/b17-16?,19-15-;;;;.
What are the key properties of trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane?
trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane has a molecular weight of 575.59 g/mol, XLogP of 11.23, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane is sourced from PubChem (CID 177407305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).