tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane

C20H42OSi — CID 134979490

IUPACtert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane
SMILESC/C=C(\CCCCCCCC)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-9-11-12-13-14-15-16-19(10-2)17-18(3)21-22(7,8)20(4,5)6/h10,18H,9,11-17H2,1-8H3/b19-10+
InChIKeyKXOSOUSIURTMIW-VXLYETTFSA-N
MW326.64 g/mol
LogP7.48
Rot. Bonds11

About tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane

tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane (PubChem CID 134979490) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane
PubChem CID134979490
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane
SMILESC/C=C(\CCCCCCCC)CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-9-11-12-13-14-15-16-19(10-2)17-18(3)21-22(7,8)20(4,5)6/h10,18H,9,11-17H2,1-8H3/b19-10+
InChIKeyKXOSOUSIURTMIW-VXLYETTFSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
cis-9-octadecenol, tBDMS
CID 6430273
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
cis-9-Tetradecen-1-ol, trimethylsilyl ether
CID 91697356
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)nonyloxy-
CID 91710972
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)undecyloxy-
CID 91710973
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)dodecyloxy-
CID 91710974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane (CID 134979490) is tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane is C/C=C(\CCCCCCCC)CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane?
The InChIKey is KXOSOUSIURTMIW-VXLYETTFSA-N. The full InChI is InChI=1S/C20H42OSi/c1-9-11-12-13-14-15-16-19(10-2)17-18(3)21-22(7,8)20(4,5)6/h10,18H,9,11-17H2,1-8H3/b19-10+.
What are the key properties of tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane?
tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane has a molecular weight of 326.64 g/mol, XLogP of 7.48, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E)-4-ethylidenedodecan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).