[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane

C20H36O2Si — CID 135011636

IUPAC[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane
SMILESC=CC1=C(C(C)(C)C)CC(COC)(COC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-10-17-16(13-23(7,8)9)11-20(14-21-5,15-22-6)12-18(17)19(2,3)4/h10,13H,1,11-12,14-15H2,2-9H3/b16-13+
InChIKeyDVLKHJYZOPRIQQ-DTQAZKPQSA-N
MW336.59 g/mol
LogP5.39
Rot. Bonds6

About [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane

[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane (PubChem CID 135011636) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane
PubChem CID135011636
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane
SMILESC=CC1=C(C(C)(C)C)CC(COC)(COC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-10-17-16(13-23(7,8)9)11-20(14-21-5,15-22-6)12-18(17)19(2,3)4/h10,13H,1,11-12,14-15H2,2-9H3/b16-13+
InChIKeyDVLKHJYZOPRIQQ-DTQAZKPQSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
CID 134899913
[2-Tert-butyl-4,4-bis(methoxymethyl)-7-bicyclo[4.2.0]octa-1,6-dienyl]-trimethylsilane
CID 135011637
[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 140966234
[(3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 173789566
[(4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 173789567
[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 173789568
[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10040842
tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
CID 10667905
tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane
CID 10950552
[(1R,4R)-2-buta-2,3-dien-2-yl-4-methylcyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 21724419
tert-butyl-dimethyl-[[2,2,4-trimethyl-3-[(E)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methoxy]silane
CID 23243429
1-Tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)-3-methylidenecyclohexene
CID 24865695

Frequently Asked Questions

What is the IUPAC name of [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane (CID 135011636) is [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane is C=CC1=C(C(C)(C)C)CC(COC)(COC)C/C1=C\[Si](C)(C)C.
What is the InChIKey of [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane?
The InChIKey is DVLKHJYZOPRIQQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-10-17-16(13-23(7,8)9)11-20(14-21-5,15-22-6)12-18(17)19(2,3)4/h10,13H,1,11-12,14-15H2,2-9H3/b16-13+.
What are the key properties of [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane?
[(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane has a molecular weight of 336.59 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-tert-butyl-2-ethenyl-5,5-bis(methoxymethyl)cyclohex-2-en-1-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 135011636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).