tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane

C19H36OSi — CID 552481

IUPACtert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CC1CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-14-10-9-11-19(5,6)16(14)12-15-13-17(15)20-21(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3
InChIKeyKEJUDADSOPGIPH-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds4

About tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane (PubChem CID 552481) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane
PubChem CID552481
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CC1CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-14-10-9-11-19(5,6)16(14)12-15-13-17(15)20-21(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3
InChIKeyKEJUDADSOPGIPH-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
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

tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
[(4S,7aR)-7a-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 59274935
tert-butyl-[(4S,6E,8R)-6-(3,3-dimethylbutylidene)-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-8-yl]oxy-dimethylsilane
CID 70837305
Tert-butyl-dimethyl-(2-methyl-5-prop-1-en-2-ylcyclohexyl)oxysilane
CID 85369907
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020
tert-butyl-[(3S)-5-cyclopropyl-2,2-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 150670949
[3-(2-Ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane
CID 154697545
tert-butyl-dimethyl-[(4R,6R,8S)-6,8,9,9-tetramethyldec-1-en-4-yl]oxysilane
CID 173673506
Tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane
CID 5314490

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane (CID 552481) is tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane is C=C1CCCC(C)(C)C1CC1CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is KEJUDADSOPGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-14-10-9-11-19(5,6)16(14)12-15-13-17(15)20-21(7,8)18(2,3)4/h15-17H,1,9-13H2,2-8H3.
What are the key properties of tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 552481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).