trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane

C30H54SiSn — CID 177423800

IUPACtrimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C\c1ccccc1)/C(=C/CCC(C)C)[Si](C)(C)C
InChIInChI=1S/C18H27Si.3C4H9.Sn/c1-16(2)10-9-13-18(19(3,4)5)15-14-17-11-7-6-8-12-17;3*1-3-4-2;/h6-8,11-14,16H,9-10H2,1-5H3;3*1,3-4H2,2H3;/b15-14?,18-13-;;;;
InChIKeyABVDYPFAOALQIW-XDWOJNJISA-N
MW561.56 g/mol
LogP10.70
Rot. Bonds16

About trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane

trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane (PubChem CID 177423800) has the molecular formula C30H54SiSn and a molecular weight of 561.56 g/mol. Its IUPAC name is trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane
PubChem CID177423800
Molecular FormulaC30H54SiSn
Molecular Weight561.56 g/mol
Exact Mass562.30
IUPAC Nametrimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C\c1ccccc1)/C(=C/CCC(C)C)[Si](C)(C)C
InChIInChI=1S/C18H27Si.3C4H9.Sn/c1-16(2)10-9-13-18(19(3,4)5)15-14-17-11-7-6-8-12-17;3*1-3-4-2;/h6-8,11-14,16H,9-10H2,1-5H3;3*1,3-4H2,2H3;/b15-14?,18-13-;;;;
InChIKeyABVDYPFAOALQIW-XDWOJNJISA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.56
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(1Z,3Z)-1-phenyl-2-tributylstannyldeca-1,3-dien-3-yl]silane
CID 177407305
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
tributyl-[(E)-1-butyltellanyl-2-phenylethenyl]stannane
CID 10507405
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
(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
CID 177483438
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(2Z)-2-benzylidene-5-methylhexanoic acid
CID 70273739
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
(3E)-3-benzylidenepentan-2-ol
CID 135080947

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane?
The IUPAC name of trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane (CID 177423800) is trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane.
What is the SMILES notation for trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane?
The canonical SMILES for trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane is CCCC[Sn](CCCC)(CCCC)C(=C\c1ccccc1)/C(=C/CCC(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane?
The InChIKey is ABVDYPFAOALQIW-XDWOJNJISA-N. The full InChI is InChI=1S/C18H27Si.3C4H9.Sn/c1-16(2)10-9-13-18(19(3,4)5)15-14-17-11-7-6-8-12-17;3*1-3-4-2;/h6-8,11-14,16H,9-10H2,1-5H3;3*1,3-4H2,2H3;/b15-14?,18-13-;;;;.
What are the key properties of trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane?
trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane has a molecular weight of 561.56 g/mol, XLogP of 10.70, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1Z,3Z)-7-methyl-1-phenyl-2-tributylstannylocta-1,3-dien-3-yl]silane is sourced from PubChem (CID 177423800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).