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

C19H40OSi — CID 11045214

IUPACtert-butyl-dimethyl-[(3S,4R)-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+/m1/s1
InChIKeyWNRCXNOHANIOHX-MSOLQXFVSA-N
MW312.61 g/mol
LogP6.81
Rot. Bonds8

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

tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane (PubChem CID 11045214) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
PubChem CID11045214
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Nametert-butyl-dimethyl-[(3S,4R)-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+/m1/s1
InChIKeyWNRCXNOHANIOHX-MSOLQXFVSA-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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Related Compounds

(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-ol
CID 11030809
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
(7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-2-en-5-yn-8-ol
CID 11004104
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
CID 11696305
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
(2S,3S,4R)-2-amino-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]octadecan-4-ol
CID 10864535
[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
CID 129405347
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane (CID 11045214) is tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R)-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,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
The InChIKey is WNRCXNOHANIOHX-MSOLQXFVSA-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+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R)-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,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane is sourced from PubChem (CID 11045214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).