tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane

C19H40OSi — CID 134979489

IUPACtert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
SMILESCCCC[C@@H](C=C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C19H40OSi/c1-11-12-13-17(14-15(2)3)18(16(4)5)20-21(9,10)19(6,7)8/h14,16-18H,11-13H2,1-10H3/t17-,18-/m0/s1
InChIKeyWNRCXNOHANIOHX-ROUUACIJSA-N
MW312.61 g/mol
LogP6.81
Rot. Bonds8

About tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane (PubChem CID 134979489) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
PubChem CID134979489
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Nametert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
SMILESCCCC[C@@H](C=C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C19H40OSi/c1-11-12-13-17(14-15(2)3)18(16(4)5)20-21(9,10)19(6,7)8/h14,16-18H,11-13H2,1-10H3/t17-,18-/m0/s1
InChIKeyWNRCXNOHANIOHX-ROUUACIJSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 56.81
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane (CID 134979489) is tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane is CCCC[C@@H](C=C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The InChIKey is WNRCXNOHANIOHX-ROUUACIJSA-N. The full InChI is InChI=1S/C19H40OSi/c1-11-12-13-17(14-15(2)3)18(16(4)5)20-21(9,10)19(6,7)8/h14,16-18H,11-13H2,1-10H3/t17-,18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane has a molecular weight of 312.61 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane is sourced from PubChem (CID 134979489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).