[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate

C26H32O6 — CID 19886717

IUPAC[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate
SMILESCOc1c(OC)c(OC(=O)C2CCCCC2)c2ccccc2c1OC(=O)C1CCCCC1
InChIInChI=1S/C26H32O6/c1-29-23-21(31-25(27)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(24(23)30-2)32-26(28)18-13-7-4-8-14-18/h9-10,15-18H,3-8,11-14H2,1-2H3
InChIKeyOAJUKUFZWREQDF-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.83
Rot. Bonds6

About [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate

[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate (PubChem CID 19886717) has the molecular formula C26H32O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate
PubChem CID19886717
Molecular FormulaC26H32O6
Molecular Weight440.54 g/mol
Exact Mass440.22
IUPAC Name[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate
SMILESCOc1c(OC)c(OC(=O)C2CCCCC2)c2ccccc2c1OC(=O)C1CCCCC1
InChIInChI=1S/C26H32O6/c1-29-23-21(31-25(27)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(24(23)30-2)32-26(28)18-13-7-4-8-14-18/h9-10,15-18H,3-8,11-14H2,1-2H3
InChIKeyOAJUKUFZWREQDF-UHFFFAOYSA-N
XLogP5.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate with MolForge

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Related Compounds

hydron;phenyl cycloheptanecarboxylate
CID 174768034
(4-oxo-2-phenylchromen-3-yl) cyclohexanecarboxylate
CID 20998224
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
[4-(dimethylcarbamoyloxy)-2,3-dimethoxynaphthalen-1-yl] N,N-dimethylcarbamate
CID 14302870
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
(2,6-ditert-butyl-4-methylphenyl) cyclohexanecarboxylate
CID 11809687
[4-(cyclohexanecarbonyloxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(cyclohexanecarbonyloxy)phenyl]-diphenylsulfanium
CID 160996231
(2,4,6-trichlorophenyl) cyclopentanecarboxylate
CID 55335085
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate?
The IUPAC name of [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate (CID 19886717) is [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate.
What is the SMILES notation for [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate?
The canonical SMILES for [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate is COc1c(OC)c(OC(=O)C2CCCCC2)c2ccccc2c1OC(=O)C1CCCCC1.
What is the InChIKey of [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate?
The InChIKey is OAJUKUFZWREQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O6/c1-29-23-21(31-25(27)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(24(23)30-2)32-26(28)18-13-7-4-8-14-18/h9-10,15-18H,3-8,11-14H2,1-2H3.
What are the key properties of [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate?
[4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate has a molecular weight of 440.54 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarbonyloxy)-2,3-dimethoxynaphthalen-1-yl] cyclohexanecarboxylate is sourced from PubChem (CID 19886717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).