(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate

C18H20O8 — CID 14302873

IUPAC(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)c(OC)c(OC(=O)OCC)c2ccccc12
InChIInChI=1S/C18H20O8/c1-5-23-17(19)25-13-11-9-7-8-10-12(11)14(26-18(20)24-6-2)16(22-4)15(13)21-3/h7-10H,5-6H2,1-4H3
InChIKeyJHXWFXWFZCPUGW-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.93
Rot. Bonds6

About (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate

(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate (PubChem CID 14302873) has the molecular formula C18H20O8 and a molecular weight of 364.35 g/mol. Its IUPAC name is (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate.

Molecular Properties

Compound Name(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
PubChem CID14302873
Molecular FormulaC18H20O8
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
SMILESCCOC(=O)Oc1c(OC)c(OC)c(OC(=O)OCC)c2ccccc12
InChIInChI=1S/C18H20O8/c1-5-23-17(19)25-13-11-9-7-8-10-12(11)14(26-18(20)24-6-2)16(22-4)15(13)21-3/h7-10H,5-6H2,1-4H3
InChIKeyJHXWFXWFZCPUGW-UHFFFAOYSA-N
XLogP3.93
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
CID 14302870
ethyl 2-methyl-3-(1,3,4-trimethoxynaphthalen-2-yl)prop-2-enoate
CID 75164211
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
ethyl 4-bromo-1,3-dimethoxynaphthalene-2-carboxylate
CID 97034479
ethyl [3,8,9-tris(ethoxycarbonyloxy)-2-tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),2,4,6,8,10(14),11-heptaenyl] carbonate
CID 140957707
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
(4-butoxycarbonyloxy-2,3-diphenoxynaphthalen-1-yl) butyl carbonate
CID 19886882
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
[2,3-dimethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CID 135239613
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate?
The IUPAC name of (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate (CID 14302873) is (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate.
What is the SMILES notation for (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate?
The canonical SMILES for (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate is CCOC(=O)Oc1c(OC)c(OC)c(OC(=O)OCC)c2ccccc12.
What is the InChIKey of (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate?
The InChIKey is JHXWFXWFZCPUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O8/c1-5-23-17(19)25-13-11-9-7-8-10-12(11)14(26-18(20)24-6-2)16(22-4)15(13)21-3/h7-10H,5-6H2,1-4H3.
What are the key properties of (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate?
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate has a molecular weight of 364.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate is sourced from PubChem (CID 14302873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).