[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate

C30H36O4 — CID 126692784

IUPAC[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(C)CC4)ccc2-3)CC1
InChIInChI=1S/C30H36O4/c1-18-4-8-21(9-5-18)29(31)33-23-12-14-25-26-15-13-24(17-28(26)20(3)27(25)16-23)34-30(32)22-10-6-19(2)7-11-22/h12-22H,4-11H2,1-3H3
InChIKeyWBCXIFXHLFISPG-UHFFFAOYSA-N
MW460.61 g/mol
LogP7.28
Rot. Bonds4

About [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate

[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate (PubChem CID 126692784) has the molecular formula C30H36O4 and a molecular weight of 460.61 g/mol. Its IUPAC name is [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate
PubChem CID126692784
Molecular FormulaC30H36O4
Molecular Weight460.61 g/mol
Exact Mass460.26
IUPAC Name[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(C)CC4)ccc2-3)CC1
InChIInChI=1S/C30H36O4/c1-18-4-8-21(9-5-18)29(31)33-23-12-14-25-26-15-13-24(17-28(26)20(3)27(25)16-23)34-30(32)22-10-6-19(2)7-11-22/h12-22H,4-11H2,1-3H3
InChIKeyWBCXIFXHLFISPG-UHFFFAOYSA-N
XLogP7.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate with MolForge

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Related Compounds

[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
[9-methyl-7-[[4-[6-(oxiran-2-yl)hexyl]cyclohexyl]methylperoxy]-9H-fluoren-2-yl] 4-[6-(oxiran-2-yl)hexyl]cyclohexane-1-carboxylate
CID 21044898
[4-(3,4-dimethylphenyl)phenyl] 4-methylcyclohexane-1-carboxylate
CID 23516334
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
[4-(difluoromethoxy)-3-fluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591362
[7-(2-fluoroprop-2-enoyloxy)-9-methyl-9H-fluoren-2-yl] 2-fluoroprop-2-enoate
CID 67472341
(4-pentoxyphenyl) 4-methylcyclohexane-1-carboxylate
CID 58651924
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542

Frequently Asked Questions

What is the IUPAC name of [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate (CID 126692784) is [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate is CC1CCC(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(C)CC4)ccc2-3)CC1.
What is the InChIKey of [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is WBCXIFXHLFISPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O4/c1-18-4-8-21(9-5-18)29(31)33-23-12-14-25-26-15-13-24(17-28(26)20(3)27(25)16-23)34-30(32)22-10-6-19(2)7-11-22/h12-22H,4-11H2,1-3H3.
What are the key properties of [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate?
[9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 460.61 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-methyl-7-(4-methylcyclohexanecarbonyl)oxy-9H-fluoren-2-yl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 126692784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).