[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane

C17H32Si2 — CID 553420

IUPAC[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane
SMILESCC1(C)C=C(C[Si](C)(C)C)C=CC(C[Si](C)(C)C)=C1
InChIInChI=1S/C17H32Si2/c1-17(2)11-15(13-18(3,4)5)9-10-16(12-17)14-19(6,7)8/h9-12H,13-14H2,1-8H3
InChIKeyKCRLLYJQVXCGHC-UHFFFAOYSA-N
MW292.62 g/mol
LogP6.11
Rot. Bonds4

About [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane

[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane (PubChem CID 553420) has the molecular formula C17H32Si2 and a molecular weight of 292.62 g/mol. Its IUPAC name is [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane
PubChem CID553420
Molecular FormulaC17H32Si2
Molecular Weight292.62 g/mol
Exact Mass292.20
IUPAC Name[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane
SMILESCC1(C)C=C(C[Si](C)(C)C)C=CC(C[Si](C)(C)C)=C1
InChIInChI=1S/C17H32Si2/c1-17(2)11-15(13-18(3,4)5)9-10-16(12-17)14-19(6,7)8/h9-12H,13-14H2,1-8H3
InChIKeyKCRLLYJQVXCGHC-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[7,10-Dimethyl-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane
CID 101175020
[(2E)-4,5-dimethylhexa-2,4-dienyl]-trimethylsilane
CID 102473316
trimethyl-[(1E,3E)-3-methylhexa-1,3-dienyl]silane
CID 10535131
Lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
CID 11060749
[(4E,6E)-5,6-dimethyl-7-trimethylsilyldeca-1,4,6,9-tetraen-4-yl]-trimethylsilane
CID 11781753
4-Methyldiethylsilyl-2-methyl-1,3-butadiene
CID 129763094
CID 134888487
CID 134888487
1,3,5-Cycloheptatriene, 2,4,7,7-tetramethyl-2,4-bis(trimethylsilyl)-
CID 552112
1,3-Cyclopentadiene, 5,5-dimethyl-2-(trimethylsilylmethyl)-
CID 552782
1,3-Cyclopentadiene, 5-isobutenyl-1,5-bis(trimethylsilyl)-
CID 553282
1,3,5-Cycloheptatriene, 7,7-dimethyl-2,4-bis(trimethylsilyl)-
CID 553285
1,3,5-Cycloheptatriene, 7,7-dimethyl-3-(trimethylsilyl)-
CID 553287

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane?
The IUPAC name of [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane (CID 553420) is [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane?
The canonical SMILES for [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane is CC1(C)C=C(C[Si](C)(C)C)C=CC(C[Si](C)(C)C)=C1.
What is the InChIKey of [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane?
The InChIKey is KCRLLYJQVXCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32Si2/c1-17(2)11-15(13-18(3,4)5)9-10-16(12-17)14-19(6,7)8/h9-12H,13-14H2,1-8H3.
What are the key properties of [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane?
[3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane has a molecular weight of 292.62 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-5-(trimethylsilylmethyl)cyclohepta-1,4,6-trien-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 553420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).