propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

C19H34O2 — CID 70500980

IUPACpropyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(20)21-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyXUFYYFKQCZLUTC-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.35
Rot. Bonds6

About propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 70500980) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID70500980
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Namepropyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(20)21-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyXUFYYFKQCZLUTC-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (CID 70500980) is propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is CCCOC(=O)C1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is XUFYYFKQCZLUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19(20)21-14-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 294.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 70500980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).