1-(1-cyclohexylpropoxy)propylcyclohexane

C18H34O — CID 21252154

IUPAC1-(1-cyclohexylpropoxy)propylcyclohexane
SMILESCCC(OC(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3
InChIKeyAFHAFQJFVCUXGG-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.72
Rot. Bonds6

About 1-(1-cyclohexylpropoxy)propylcyclohexane

1-(1-cyclohexylpropoxy)propylcyclohexane (PubChem CID 21252154) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(1-cyclohexylpropoxy)propylcyclohexane.

Molecular Properties

Compound Name1-(1-cyclohexylpropoxy)propylcyclohexane
PubChem CID21252154
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-(1-cyclohexylpropoxy)propylcyclohexane
SMILESCCC(OC(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3
InChIKeyAFHAFQJFVCUXGG-UHFFFAOYSA-N
XLogP5.72
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 ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thromboxane
CID 114873
Cetyl Dimethylbutyl Ether
CID 9883836
(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
Cyclohexane, (1-methoxyethyl)-
CID 106834
2-(2-Cyclohexylethoxy)ethylcyclohexane
CID 345933
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
2-Cyclohexyl-3-methyloxirane
CID 14660746
a-Cyclohexyltetrahydropyran
CID 15620793
CID 20849211
CID 20849211

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropoxy)propylcyclohexane?
The IUPAC name of 1-(1-cyclohexylpropoxy)propylcyclohexane (CID 21252154) is 1-(1-cyclohexylpropoxy)propylcyclohexane.
What is the SMILES notation for 1-(1-cyclohexylpropoxy)propylcyclohexane?
The canonical SMILES for 1-(1-cyclohexylpropoxy)propylcyclohexane is CCC(OC(CC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylpropoxy)propylcyclohexane?
The InChIKey is AFHAFQJFVCUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-17(15-11-7-5-8-12-15)19-18(4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpropoxy)propylcyclohexane?
1-(1-cyclohexylpropoxy)propylcyclohexane has a molecular weight of 266.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropoxy)propylcyclohexane is sourced from PubChem (CID 21252154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).