tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane

C19H36OSi — CID 5366436

IUPACtert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h10,15,17H,1,9,11-14H2,2-8H3/b15-10+
InChIKeyVCAGZNMZBAUEJC-XNTDXEJSSA-N
MW308.58 g/mol
LogP6.68
Rot. Bonds5

About tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane

tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane (PubChem CID 5366436) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane
PubChem CID5366436
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane
SMILESC=C1CCCC(C)(C)C1CC/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h10,15,17H,1,9,11-14H2,2-8H3/b15-10+
InChIKeyVCAGZNMZBAUEJC-XNTDXEJSSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1S,2R,6S)-1,2-dimethyl-6-prop-2-enylcyclohexyl]prop-1-ynoxy-tri(propan-2-yl)silane
CID 11233807
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
t-Butyl-[3-(2,2-dimethyl-6-methylenecyclohexyl)propenyloxy]dimethylsilane
CID 5366648
Cyclohexane, 1,1-dimethyl-3-methylene-2-[3-(t-butyldimethylsilyloxy)-2-propenyl)-, (Z)-
CID 5366649
2-Cyclohexylhex-5-enyl(triethoxy)silane
CID 20026947
2-[1,2-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 66694493
(2-Triethoxysilylethyl)divinylcyclohexane
CID 66694494
3-Cyclohexylhept-6-en-2-yl(triethoxy)silane
CID 66694737
2-[3,4-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 69670313
4-Cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane
CID 91315963
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020
CID 145777063
CID 145777063

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane (CID 5366436) is tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane is C=C1CCCC(C)(C)C1CC/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane?
The InChIKey is VCAGZNMZBAUEJC-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H36OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h10,15,17H,1,9,11-14H2,2-8H3/b15-10+.
What are the key properties of tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-1-enoxy]-dimethylsilane is sourced from PubChem (CID 5366436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).