triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane

C20H38OSi — CID 10687330

IUPACtriethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane
SMILESC=C(C)CCCC1(CO[Si](CC)(CC)CC)C=C(C)CCC1
InChIInChI=1S/C20H38OSi/c1-7-22(8-2,9-3)21-17-20(14-10-12-18(4)5)15-11-13-19(6)16-20/h16H,4,7-15,17H2,1-3,5-6H3
InChIKeyDSKUKJHRKBTVNS-UHFFFAOYSA-N
MW322.61 g/mol
LogP6.87
Rot. Bonds10

About triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane

triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane (PubChem CID 10687330) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametriethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane
PubChem CID10687330
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametriethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane
SMILESC=C(C)CCCC1(CO[Si](CC)(CC)CC)C=C(C)CCC1
InChIInChI=1S/C20H38OSi/c1-7-22(8-2,9-3)21-17-20(14-10-12-18(4)5)15-11-13-19(6)16-20/h16H,4,7-15,17H2,1-3,5-6H3
InChIKeyDSKUKJHRKBTVNS-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
[3-[2-(Cyclohexen-1-yl)ethyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21593729
[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 10968424
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 21578153
Tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
CID 46185276
tert-Butyldimethyl(((S)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147452
tert-Butyldimethyl(((S)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147456

Frequently Asked Questions

What is the IUPAC name of triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane?
The IUPAC name of triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane (CID 10687330) is triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane.
What is the SMILES notation for triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane?
The canonical SMILES for triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane is C=C(C)CCCC1(CO[Si](CC)(CC)CC)C=C(C)CCC1.
What is the InChIKey of triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane?
The InChIKey is DSKUKJHRKBTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38OSi/c1-7-22(8-2,9-3)21-17-20(14-10-12-18(4)5)15-11-13-19(6)16-20/h16H,4,7-15,17H2,1-3,5-6H3.
What are the key properties of triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane?
triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane has a molecular weight of 322.61 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane is sourced from PubChem (CID 10687330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).