tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane

C30H60OSi — CID 163319797

IUPACtert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane
SMILESC/C=C(\C)CCCCCCCCCCCC(CCCC/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60OSi/c1-9-11-12-13-20-23-26-29(31-32(7,8)30(4,5)6)27-24-21-18-16-14-15-17-19-22-25-28(3)10-2/h10-12,29H,9,13-27H2,1-8H3/b12-11-,28-10+
InChIKeyIWARMQGBJUCTAJ-NPUSQFNHSA-N
MW464.90 g/mol
LogP11.16
Rot. Bonds20

About tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane

tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane (PubChem CID 163319797) has the molecular formula C30H60OSi and a molecular weight of 464.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane
PubChem CID163319797
Molecular FormulaC30H60OSi
Molecular Weight464.90 g/mol
Exact Mass464.44
IUPAC Nametert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane
SMILESC/C=C(\C)CCCCCCCCCCCC(CCCC/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H60OSi/c1-9-11-12-13-20-23-26-29(31-32(7,8)30(4,5)6)27-24-21-18-16-14-15-17-19-22-25-28(3)10-2/h10-12,29H,9,13-27H2,1-8H3/b12-11-,28-10+
InChIKeyIWARMQGBJUCTAJ-NPUSQFNHSA-N
XLogP11.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.90
LogP ≤ 511.16
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

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
1-Triethylsilyloxyundec-10-ene
CID 568575
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
CID 14521703
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
cis-9-octadecenol, tBDMS
CID 6430273

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane (CID 163319797) is tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane is C/C=C(\C)CCCCCCCCCCCC(CCCC/C=C\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane?
The InChIKey is IWARMQGBJUCTAJ-NPUSQFNHSA-N. The full InChI is InChI=1S/C30H60OSi/c1-9-11-12-13-20-23-26-29(31-32(7,8)30(4,5)6)27-24-21-18-16-14-15-17-19-22-25-28(3)10-2/h10-12,29H,9,13-27H2,1-8H3/b12-11-,28-10+.
What are the key properties of tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane?
tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane has a molecular weight of 464.90 g/mol, XLogP of 11.16, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3Z,21E)-21-methyltricosa-3,21-dien-9-yl]oxysilane is sourced from PubChem (CID 163319797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).