tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane

C23H40O2Si — CID 15880823

IUPACtert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
SMILESCC(C)OC(=C(C(C)C)C(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H40O2Si/c1-16(2)21(17(3)4)22(24-18(5)6)19-13-12-14-20(15-19)25-26(10,11)23(7,8)9/h12-18H,1-11H3
InChIKeyBYZBXMBPNIBKKB-UHFFFAOYSA-N
MW376.66 g/mol
LogP7.52
Rot. Bonds7

About tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane

tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane (PubChem CID 15880823) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
PubChem CID15880823
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Nametert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
SMILESCC(C)OC(=C(C(C)C)C(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C23H40O2Si/c1-16(2)21(17(3)4)22(24-18(5)6)19-13-12-14-20(15-19)25-26(10,11)23(7,8)9/h12-18H,1-11H3
InChIKeyBYZBXMBPNIBKKB-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870
CID 67803532
CID 67803532
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane (CID 15880823) is tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane is CC(C)OC(=C(C(C)C)C(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane?
The InChIKey is BYZBXMBPNIBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-16(2)21(17(3)4)22(24-18(5)6)19-13-12-14-20(15-19)25-26(10,11)23(7,8)9/h12-18H,1-11H3.
What are the key properties of tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane?
tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane has a molecular weight of 376.66 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane is sourced from PubChem (CID 15880823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).