tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane

C18H29Si+ — CID 134887068

IUPACtert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane
SMILESC/[C+]=C(/[C@@H](C)C1C=CC=CC=C1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29Si/c1-8-17(19(6,7)18(3,4)5)15(2)16-13-11-9-10-12-14-16/h9-16H,1-7H3/q+1/t15-/m0/s1
InChIKeyTXUNPIYEMAPJAM-HNNXBMFYSA-N
MW273.52 g/mol
LogP5.72
Rot. Bonds3

About tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane

tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane (PubChem CID 134887068) has the molecular formula C18H29Si+ and a molecular weight of 273.52 g/mol. Its IUPAC name is tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane
PubChem CID134887068
Molecular FormulaC18H29Si+
Molecular Weight273.52 g/mol
Exact Mass273.20
IUPAC Nametert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane
SMILESC/[C+]=C(/[C@@H](C)C1C=CC=CC=C1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H29Si/c1-8-17(19(6,7)18(3,4)5)15(2)16-13-11-9-10-12-14-16/h9-16H,1-7H3/q+1/t15-/m0/s1
InChIKeyTXUNPIYEMAPJAM-HNNXBMFYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2,6-cis-heptadienyltrimethylsilane
CID 12550622
(5-Tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 134888747
[(Z)-5-methylhex-2-enyl]-tri(propan-2-yl)silane
CID 10944991
Trimethyl-(5-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 12547573
(5-Ethenyl-2,3-dimethyl-4-trimethylsilylcyclohexa-1,3-dien-1-yl)-trimethylsilane
CID 15339738
Trimethyl(5-methylhepta-2,6-dien-1-yl)silane
CID 71441335
[(1R,6S)-7-bicyclo[4.2.1]nona-2,4,7-trienyl]-trimethylsilane
CID 134860399
tert-butyl-[(4R)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-2-yl]-dimethylsilane
CID 134887051
[(E)-5-methylhex-2-enyl]-tri(propan-2-yl)silane
CID 134901135
trimethyl-[(3S,4Z,6E)-2-methylocta-4,6-dien-3-yl]silane
CID 134993479
Dimethyl-bis-(5-methyl-hepta-2,6-dienyl)-silane
CID 23266024
trimethyl-[(3R,4Z,6E)-2-methylocta-4,6-dien-3-yl]silane
CID 10584061

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane (CID 134887068) is tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane is C/[C+]=C(/[C@@H](C)C1C=CC=CC=C1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane?
The InChIKey is TXUNPIYEMAPJAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29Si/c1-8-17(19(6,7)18(3,4)5)15(2)16-13-11-9-10-12-14-16/h9-16H,1-7H3/q+1/t15-/m0/s1.
What are the key properties of tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane?
tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane has a molecular weight of 273.52 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4-cyclohepta-2,4,6-trien-1-ylpent-2-en-3-yl]-dimethylsilane is sourced from PubChem (CID 134887068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).