1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde

C25H40O5Si2 — CID 11352018

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde
SMILESCOc1ccc(OC)c2c(O[Si](C)(C)C(C)(C)C)c(C=O)cc(O[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C25H40O5Si2/c1-24(2,3)31(9,10)29-20-15-17(16-26)23(30-32(11,12)25(4,5)6)22-19(28-8)14-13-18(27-7)21(20)22/h13-16H,1-12H3
InChIKeyYWCRLBCZTSCMGR-UHFFFAOYSA-N
MW476.76 g/mol
LogP7.44
Rot. Bonds7

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde (PubChem CID 11352018) has the molecular formula C25H40O5Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde
PubChem CID11352018
Molecular FormulaC25H40O5Si2
Molecular Weight476.76 g/mol
Exact Mass476.24
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde
SMILESCOc1ccc(OC)c2c(O[Si](C)(C)C(C)(C)C)c(C=O)cc(O[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C25H40O5Si2/c1-24(2,3)31(9,10)29-20-15-17(16-26)23(30-32(11,12)25(4,5)6)22-19(28-8)14-13-18(27-7)21(20)22/h13-16H,1-12H3
InChIKeyYWCRLBCZTSCMGR-UHFFFAOYSA-N
XLogP7.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
CID 174074491
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
4-[4-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethoxynaphthalen-2-yl]hepta-1,6-dien-4-ol
CID 11729646
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde
CID 141430833

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde (CID 11352018) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde is COc1ccc(OC)c2c(O[Si](C)(C)C(C)(C)C)c(C=O)cc(O[Si](C)(C)C(C)(C)C)c12.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde?
The InChIKey is YWCRLBCZTSCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O5Si2/c1-24(2,3)31(9,10)29-20-15-17(16-26)23(30-32(11,12)25(4,5)6)22-19(28-8)14-13-18(27-7)21(20)22/h13-16H,1-12H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde has a molecular weight of 476.76 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5,8-dimethoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 11352018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).