[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane

C22H38Si — CID 123316880

IUPAC[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)CC1(C)C=CC=C(C(CC(C)C)C(C)C)C=C1
InChIInChI=1S/C22H38Si/c1-9-15-23(7,8)17-22(6)13-10-11-20(12-14-22)21(19(4)5)16-18(2)3/h9-14,18-19,21H,1,15-17H2,2-8H3
InChIKeyFZZMQUOYDGSHTB-UHFFFAOYSA-N
MW330.63 g/mol
LogP7.26
Rot. Bonds8

About [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane

[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane (PubChem CID 123316880) has the molecular formula C22H38Si and a molecular weight of 330.63 g/mol. Its IUPAC name is [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane
PubChem CID123316880
Molecular FormulaC22H38Si
Molecular Weight330.63 g/mol
Exact Mass330.27
IUPAC Name[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)CC1(C)C=CC=C(C(CC(C)C)C(C)C)C=C1
InChIInChI=1S/C22H38Si/c1-9-15-23(7,8)17-22(6)13-10-11-20(12-14-22)21(19(4)5)16-18(2)3/h9-14,18-19,21H,1,15-17H2,2-8H3
InChIKeyFZZMQUOYDGSHTB-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
CID 101077362
tert-butyl-[(1S)-1,3-dimethyl-1,8a-dihydroazulen-2-yl]-dimethylsilane
CID 134887101
[(Z)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
CID 134993728
(S,E)-triethyl(2-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)vinyl)silane
CID 154701868
Silane, ((4,6-dimethyl-1,3-phenylene)bis(methylene))bis(trimethyl-
CID 143907
Bicyclo[4.2.1]nona-2,4,7-triene, 7-(trimethylsilylmethyl)-
CID 553403
trimethyl-[(1S,6S)-6-[(1S,6S)-6-trimethylsilylcyclohepta-2,4-dien-1-yl]cyclohepta-2,4-dien-1-yl]silane
CID 101482142
(2-Butan-2-ylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 12547572
[2-(2,2-Dimethylpropyl)-3-methylcyclopenta-1,3-dien-1-yl]-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
CID 19710418
(2-Butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
CID 19710422
Trimethyl-[3-[2-(3-trimethylsilylcyclopenta-1,4-dien-1-yl)hex-5-en-2-yl]cyclopenta-2,4-dien-1-yl]silane
CID 20679586
Trimethyl-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)silane
CID 21188919

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane?
The IUPAC name of [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane (CID 123316880) is [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane?
The canonical SMILES for [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)CC1(C)C=CC=C(C(CC(C)C)C(C)C)C=C1.
What is the InChIKey of [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane?
The InChIKey is FZZMQUOYDGSHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38Si/c1-9-15-23(7,8)17-22(6)13-10-11-20(12-14-22)21(19(4)5)16-18(2)3/h9-14,18-19,21H,1,15-17H2,2-8H3.
What are the key properties of [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane?
[4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane has a molecular weight of 330.63 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylhexan-3-yl)-1-methylcyclohepta-2,4,6-trien-1-yl]methyl-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 123316880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).