(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate

C21H34O4 — CID 58650724

IUPAC(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
SMILESCC1CCC(OC(=O)C2CCC(OC(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C21H34O4/c1-15-7-11-18(12-8-15)24-21(23)17-9-13-19(14-10-17)25-20(22)16-5-3-2-4-6-16/h15-19H,2-14H2,1H3
InChIKeyVIMQNNUIOCIZKY-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.79
Rot. Bonds4

About (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate

(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate (PubChem CID 58650724) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
PubChem CID58650724
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
SMILESCC1CCC(OC(=O)C2CCC(OC(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C21H34O4/c1-15-7-11-18(12-8-15)24-21(23)17-9-13-19(14-10-17)25-20(22)16-5-3-2-4-6-16/h15-19H,2-14H2,1H3
InChIKeyVIMQNNUIOCIZKY-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate (CID 58650724) is (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate is CC1CCC(OC(=O)C2CCC(OC(=O)C3CCCCC3)CC2)CC1.
What is the InChIKey of (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate?
The InChIKey is VIMQNNUIOCIZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4/c1-15-7-11-18(12-8-15)24-21(23)17-9-13-19(14-10-17)25-20(22)16-5-3-2-4-6-16/h15-19H,2-14H2,1H3.
What are the key properties of (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate?
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate has a molecular weight of 350.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 58650724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).