tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane

C25H44OSi — CID 71600877

IUPACtert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane
SMILESC=C(CCc1ccc(CCCCCCCC)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44OSi/c1-8-9-10-11-12-13-14-23-17-19-24(20-18-23)16-15-22(2)21-26-27(6,7)25(3,4)5/h17-20H,2,8-16,21H2,1,3-7H3
InChIKeyFALATJNHOUNHJM-UHFFFAOYSA-N
MW388.71 g/mol
LogP8.10
Rot. Bonds13

About tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane

tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane (PubChem CID 71600877) has the molecular formula C25H44OSi and a molecular weight of 388.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane
PubChem CID71600877
Molecular FormulaC25H44OSi
Molecular Weight388.71 g/mol
Exact Mass388.32
IUPAC Nametert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane
SMILESC=C(CCc1ccc(CCCCCCCC)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44OSi/c1-8-9-10-11-12-13-14-23-17-19-24(20-18-23)16-15-22(2)21-26-27(6,7)25(3,4)5/h17-20H,2,8-16,21H2,1,3-7H3
InChIKeyFALATJNHOUNHJM-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.71
LogP ≤ 58.10
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

3-[[tert-butyl(dimethyl)silyl]oxymethyl]but-3-en-1-ol
CID 135040003
1-butyl-4-nonylbenzene
CID 59545302
1-tert-butyl-4-undecylbenzene
CID 162402478
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
2-[4-(3-methylidenepentyl)phenyl]-5-pentylpyrimidine
CID 22131730
1-(2-chloroprop-2-enyl)-4-pentylbenzene
CID 24721931
4-(4-hexylphenyl)butan-2-one
CID 67820742
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
methane;2-[[5,11,17,23-tetrabutyl-26,27,28-tris[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enoate
CID 167634067
N,N-dimethyl-2-methylidene-4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]butan-1-amine
CID 139457206
(4-decylphenyl)-trimethylsilane
CID 69331769

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane (CID 71600877) is tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane is C=C(CCc1ccc(CCCCCCCC)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane?
The InChIKey is FALATJNHOUNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44OSi/c1-8-9-10-11-12-13-14-23-17-19-24(20-18-23)16-15-22(2)21-26-27(6,7)25(3,4)5/h17-20H,2,8-16,21H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane?
tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane has a molecular weight of 388.71 g/mol, XLogP of 8.10, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methylidene-4-(4-octylphenyl)butoxy]silane is sourced from PubChem (CID 71600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).