tert-butyl (2,6-dimethoxyphenyl) carbonate

C13H18O5 — CID 19982983

IUPACtert-butyl (2,6-dimethoxyphenyl) carbonate
SMILESCOc1cccc(OC)c1OC(=O)OC(C)(C)C
InChIInChI=1S/C13H18O5/c1-13(2,3)18-12(14)17-11-9(15-4)7-6-8-10(11)16-5/h6-8H,1-5H3
InChIKeyYGMBIPWCXMBAIG-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl (2,6-dimethoxyphenyl) carbonate

tert-butyl (2,6-dimethoxyphenyl) carbonate (PubChem CID 19982983) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is tert-butyl (2,6-dimethoxyphenyl) carbonate.

Molecular Properties

Compound Nametert-butyl (2,6-dimethoxyphenyl) carbonate
PubChem CID19982983
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Nametert-butyl (2,6-dimethoxyphenyl) carbonate
SMILESCOc1cccc(OC)c1OC(=O)OC(C)(C)C
InChIInChI=1S/C13H18O5/c1-13(2,3)18-12(14)17-11-9(15-4)7-6-8-10(11)16-5/h6-8H,1-5H3
InChIKeyYGMBIPWCXMBAIG-UHFFFAOYSA-N
XLogP3.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl] prop-2-enoate
CID 166044944
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
tert-butyl (3-hydroxy-2-nitrophenyl) carbonate
CID 170780585
(2,6-dimethoxyphenyl) N-chlorosulfonylcarbamate
CID 86254069
[3-(benzylamino)-2,4-dicyano-6-methoxyphenyl] tert-butyl carbonate
CID 90024905
(2S)-2-[amino-(2,3-dimethoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57363731

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2,6-dimethoxyphenyl) carbonate?
The IUPAC name of tert-butyl (2,6-dimethoxyphenyl) carbonate (CID 19982983) is tert-butyl (2,6-dimethoxyphenyl) carbonate.
What is the SMILES notation for tert-butyl (2,6-dimethoxyphenyl) carbonate?
The canonical SMILES for tert-butyl (2,6-dimethoxyphenyl) carbonate is COc1cccc(OC)c1OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2,6-dimethoxyphenyl) carbonate?
The InChIKey is YGMBIPWCXMBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-13(2,3)18-12(14)17-11-9(15-4)7-6-8-10(11)16-5/h6-8H,1-5H3.
What are the key properties of tert-butyl (2,6-dimethoxyphenyl) carbonate?
tert-butyl (2,6-dimethoxyphenyl) carbonate has a molecular weight of 254.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2,6-dimethoxyphenyl) carbonate is sourced from PubChem (CID 19982983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).