[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate

C17H24O6 — CID 6429237

IUPAC[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate
SMILESCc1c(OC(=O)OCC(C)C)cccc1OC(=O)OCC(C)C
InChIInChI=1S/C17H24O6/c1-11(2)9-20-16(18)22-14-7-6-8-15(13(14)5)23-17(19)21-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeySDOMBJYIKTXHBY-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.34
Rot. Bonds6

About [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate

[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate (PubChem CID 6429237) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate
PubChem CID6429237
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate
SMILESCc1c(OC(=O)OCC(C)C)cccc1OC(=O)OCC(C)C
InChIInChI=1S/C17H24O6/c1-11(2)9-20-16(18)22-14-7-6-8-15(13(14)5)23-17(19)21-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeySDOMBJYIKTXHBY-UHFFFAOYSA-N
XLogP4.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-butoxycarbonyloxyphenyl) 2-methylpropyl carbonate
CID 91704527
bis[2-methyl-3-(2-methylpropyl)phenyl] carbonate
CID 139767424
[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239802
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
[2,3-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239613
bis(2,3-dimethylphenyl) carbonate
CID 23435013
2-methylpropyl (3-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl) carbonate
CID 72737237
4-O-(2,6-dimethoxyphenyl) 1-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91721494
hydroxy 2-methylpropyl carbonate
CID 140981524
[4-(2-methylpropoxycarbonyloxy)-2-phenoxynaphthalen-1-yl] 2-methylpropyl carbonate
CID 153323186
(7-hydroxy-1H-indol-2-yl) 2-methylpropyl carbonate
CID 70474454
(10-butoxycarbonyloxy-1,5-dimethylanthracen-9-yl) butyl carbonate;[1,5-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239801

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate?
The IUPAC name of [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate (CID 6429237) is [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate.
What is the SMILES notation for [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate?
The canonical SMILES for [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate is Cc1c(OC(=O)OCC(C)C)cccc1OC(=O)OCC(C)C.
What is the InChIKey of [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate?
The InChIKey is SDOMBJYIKTXHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-11(2)9-20-16(18)22-14-7-6-8-15(13(14)5)23-17(19)21-10-12(3)4/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate?
[2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate has a molecular weight of 324.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylpropoxycarbonyloxy)phenyl] 2-methylpropyl carbonate is sourced from PubChem (CID 6429237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).