[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate

C26H32O4 — CID 126692821

IUPAC[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2ccc3cc(OC(=O)C4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H32O4/c1-17-3-7-19(8-4-17)25(27)29-23-13-11-22-16-24(14-12-21(22)15-23)30-26(28)20-9-5-18(2)6-10-20/h11-20H,3-10H2,1-2H3
InChIKeyORYKCRMGWMSRLL-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.30
Rot. Bonds4

About [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate

[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate (PubChem CID 126692821) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
PubChem CID126692821
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2ccc3cc(OC(=O)C4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H32O4/c1-17-3-7-19(8-4-17)25(27)29-23-13-11-22-16-24(14-12-21(22)15-23)30-26(28)20-9-5-18(2)6-10-20/h11-20H,3-10H2,1-2H3
InChIKeyORYKCRMGWMSRLL-UHFFFAOYSA-N
XLogP6.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692784
(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
[4-(3,4-dimethylphenyl)phenyl] 4-methylcyclohexane-1-carboxylate
CID 23516334
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
[4-(difluoromethoxy)-3-fluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591362
(6-tert-butylnaphthalen-2-yl) 4-tert-butylcyclohexane-1-carboxylate
CID 58671942
(4-pentoxyphenyl) 4-methylcyclohexane-1-carboxylate
CID 58651924
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate (CID 126692821) is [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)Oc2ccc3cc(OC(=O)C4CCC(C)CC4)ccc3c2)CC1.
What is the InChIKey of [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is ORYKCRMGWMSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-17-3-7-19(8-4-17)25(27)29-23-13-11-22-16-24(14-12-21(22)15-23)30-26(28)20-9-5-18(2)6-10-20/h11-20H,3-10H2,1-2H3.
What are the key properties of [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate?
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 408.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 126692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).