1-propoxy-4-(4-propylcyclohexyl)cyclohexane

C18H34O — CID 545355

IUPAC1-propoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCOC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H34O/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyWHCNPNKLHXTBQY-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.58
Rot. Bonds6

About 1-propoxy-4-(4-propylcyclohexyl)cyclohexane

1-propoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 545355) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-propoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-propoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID545355
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-propoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCOC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H34O/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyWHCNPNKLHXTBQY-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-propoxy-4-(4-propylcyclohexyl)cyclohexane (CID 545355) is 1-propoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-propoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-propoxy-4-(4-propylcyclohexyl)cyclohexane is CCCOC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-propoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is WHCNPNKLHXTBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-14-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-propoxy-4-(4-propylcyclohexyl)cyclohexane?
1-propoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 266.47 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 545355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).