tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate

C17H18O4 — CID 176847919

IUPACtert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate
SMILESCc1c(OC(=O)OC(C)(C)C)ccc2cc(C=O)ccc12
InChIInChI=1S/C17H18O4/c1-11-14-7-5-12(10-18)9-13(14)6-8-15(11)20-16(19)21-17(2,3)4/h5-10H,1-4H3
InChIKeyBQLUSYQQENKAID-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.27
Rot. Bonds2

About tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate

tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate (PubChem CID 176847919) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate
PubChem CID176847919
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nametert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate
SMILESCc1c(OC(=O)OC(C)(C)C)ccc2cc(C=O)ccc12
InChIInChI=1S/C17H18O4/c1-11-14-7-5-12(10-18)9-13(14)6-8-15(11)20-16(19)21-17(2,3)4/h5-10H,1-4H3
InChIKeyBQLUSYQQENKAID-UHFFFAOYSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-5-methylnaphthalene-2-carbaldehyde
CID 58518906
tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate
CID 68894803
[2-[4-[2,4-bis[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-6-[2-formyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-1,3,5-triazin-2-yl]-5-formylphenyl] tert-butyl carbonate
CID 20702906
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 19085805
tert-butyl 5-formyl-1-benzothiophene-2-carboxylate
CID 168980989
(2-tert-butyl-4-formylphenyl) hydrogen carbonate
CID 53432646
tert-butyl 5-formylindole-1-carboxylate
CID 11172622
[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl] formate
CID 174976260
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate?
The IUPAC name of tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate (CID 176847919) is tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate.
What is the SMILES notation for tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate?
The canonical SMILES for tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate is Cc1c(OC(=O)OC(C)(C)C)ccc2cc(C=O)ccc12.
What is the InChIKey of tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate?
The InChIKey is BQLUSYQQENKAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-14-7-5-12(10-18)9-13(14)6-8-15(11)20-16(19)21-17(2,3)4/h5-10H,1-4H3.
What are the key properties of tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate?
tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate has a molecular weight of 286.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6-formyl-1-methylnaphthalen-2-yl) carbonate is sourced from PubChem (CID 176847919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).