tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane

C25H52OSi — CID 554936

IUPACtert-butyl-dimethyl-(10-methylideneoctadecoxy)silane
SMILESC=C(CCCCCCCC)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52OSi/c1-8-9-10-11-15-18-21-24(2)22-19-16-13-12-14-17-20-23-26-27(6,7)25(3,4)5/h2,8-23H2,1,3-7H3
InChIKeyZRNUMETYVJGNHG-UHFFFAOYSA-N
MW396.78 g/mol
LogP9.44
Rot. Bonds18

About tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane

tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane (PubChem CID 554936) has the molecular formula C25H52OSi and a molecular weight of 396.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(10-methylideneoctadecoxy)silane
PubChem CID554936
Molecular FormulaC25H52OSi
Molecular Weight396.78 g/mol
Exact Mass396.38
IUPAC Nametert-butyl-dimethyl-(10-methylideneoctadecoxy)silane
SMILESC=C(CCCCCCCC)CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52OSi/c1-8-9-10-11-15-18-21-24(2)22-19-16-13-12-14-17-20-23-26-27(6,7)25(3,4)5/h2,8-23H2,1,3-7H3
InChIKeyZRNUMETYVJGNHG-UHFFFAOYSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.78
LogP ≤ 59.44
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-Triethylsilyloxyundec-10-ene
CID 568575
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
cis-9-octadecenol, tBDMS
CID 6430273
bis(Dec-9-en-1-yloxy)(dimethyl)silane
CID 91697227
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
13c,16c-docosadienol, tBDMS
CID 6430207
1-Triisopropylsilyloxy-10-undecene
CID 535044
Tert-butyldimethyl(7-octenyloxy)silane
CID 12166278
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
trimethyl-[(E)-2-[(Z)-3-octoxyprop-2-enyl]oct-1-enyl]silane
CID 11110963

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane (CID 554936) is tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane is C=C(CCCCCCCC)CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane?
The InChIKey is ZRNUMETYVJGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52OSi/c1-8-9-10-11-15-18-21-24(2)22-19-16-13-12-14-17-20-23-26-27(6,7)25(3,4)5/h2,8-23H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane?
tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane has a molecular weight of 396.78 g/mol, XLogP of 9.44, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(10-methylideneoctadecoxy)silane is sourced from PubChem (CID 554936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).