tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane

C21H38OSi — CID 57332924

IUPACtert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane
SMILESC=C(C)C1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)CC1C(=C)C
InChIInChI=1S/C21H38OSi/c1-15(2)19-13-17(5)18(14-20(19)16(3)4)11-12-22-23(9,10)21(6,7)8/h19-20H,1,3,11-14H2,2,4-10H3
InChIKeyPKOCWCBXYVHBLZ-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.89
Rot. Bonds6

About tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane (PubChem CID 57332924) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane
PubChem CID57332924
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane
SMILESC=C(C)C1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)CC1C(=C)C
InChIInChI=1S/C21H38OSi/c1-15(2)19-13-17(5)18(14-20(19)16(3)4)11-12-22-23(9,10)21(6,7)8/h19-20H,1,3,11-14H2,2,4-10H3
InChIKeyPKOCWCBXYVHBLZ-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.89
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

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CID 10542271
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CID 91459438
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 24749448
3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
CID 89421667
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]ethanamine
CID 11427595
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-dimethyl-[2-[5-(2-methylpropyl)-4,5-dihydro-1,2-oxazol-3-yl]ethoxy]silane
CID 45103244
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]furan-2-yl]acetic acid
CID 69168510
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane (CID 57332924) is tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane is C=C(C)C1CC(C)=C(CCO[Si](C)(C)C(C)(C)C)CC1C(=C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane?
The InChIKey is PKOCWCBXYVHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-15(2)19-13-17(5)18(14-20(19)16(3)4)11-12-22-23(9,10)21(6,7)8/h19-20H,1,3,11-14H2,2,4-10H3.
What are the key properties of tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane has a molecular weight of 334.62 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane is sourced from PubChem (CID 57332924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).