(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate

C19H34O2 — CID 598625

IUPAC(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(OC(=O)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-7-11-17(12-8-15)19(20)21-18-13-9-16(6-4-2)10-14-18/h15-18H,3-14H2,1-2H3
InChIKeyLSBXJRCCLBEZEV-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.49
Rot. Bonds6

About (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate

(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate (PubChem CID 598625) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate
PubChem CID598625
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(OC(=O)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-7-11-17(12-8-15)19(20)21-18-13-9-16(6-4-2)10-14-18/h15-18H,3-14H2,1-2H3
InChIKeyLSBXJRCCLBEZEV-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate?
The IUPAC name of (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate (CID 598625) is (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate is CCCC1CCC(OC(=O)C2CCC(CCC)CC2)CC1.
What is the InChIKey of (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate?
The InChIKey is LSBXJRCCLBEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-15-7-11-17(12-8-15)19(20)21-18-13-9-16(6-4-2)10-14-18/h15-18H,3-14H2,1-2H3.
What are the key properties of (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate?
(4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate has a molecular weight of 294.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl) 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 598625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).