tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane

C18H40OSi — CID 11312646

IUPACtert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
SMILESCCCCCCCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyMHXYOFZEZJCZAV-KRWDZBQOSA-N
MW300.60 g/mol
LogP6.78
Rot. Bonds11

About tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane

tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane (PubChem CID 11312646) has the molecular formula C18H40OSi and a molecular weight of 300.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
PubChem CID11312646
Molecular FormulaC18H40OSi
Molecular Weight300.60 g/mol
Exact Mass300.28
IUPAC Nametert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
SMILESCCCCCCCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyMHXYOFZEZJCZAV-KRWDZBQOSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.60
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216
1-Tridecanol, tBDMS
CID 6430224
1-Undecanol, tBDMS
CID 6430225
tert-Butyl-dimethyl-pentadecoxysilane
CID 91147733
Tert-butyl-(cyclooctylmethoxy)-dimethylsilane
CID 70178639

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane (CID 11312646) is tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane is CCCCCCCC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane?
The InChIKey is MHXYOFZEZJCZAV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H40OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h17H,8-16H2,1-7H3/t17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane?
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane has a molecular weight of 300.60 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane is sourced from PubChem (CID 11312646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).