2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane

C21H38O2 — CID 58620462

IUPAC2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
SMILESCCCC1CCC(C2CCC(C3CCC(OC)OC3)CC2)CC1
InChIInChI=1S/C21H38O2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(22-2)23-15-20/h16-21H,3-15H2,1-2H3
InChIKeyYDVGYNPUBPYBKN-UHFFFAOYSA-N
MW322.53 g/mol
LogP5.80
Rot. Bonds5

About 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane

2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane (PubChem CID 58620462) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane.

Molecular Properties

Compound Name2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
PubChem CID58620462
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
SMILESCCCC1CCC(C2CCC(C3CCC(OC)OC3)CC2)CC1
InChIInChI=1S/C21H38O2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(22-2)23-15-20/h16-21H,3-15H2,1-2H3
InChIKeyYDVGYNPUBPYBKN-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-propylcyclohexyl)oxane;propane
CID 143889653
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
3-(4-propylcyclohexyl)oxane
CID 150771088
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
CID 58620526
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
2,2-difluoro-5-(4-propylcyclohexyl)oxane
CID 154524129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane?
The IUPAC name of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane (CID 58620462) is 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane.
What is the SMILES notation for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane?
The canonical SMILES for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane is CCCC1CCC(C2CCC(C3CCC(OC)OC3)CC2)CC1.
What is the InChIKey of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane?
The InChIKey is YDVGYNPUBPYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-21(22-2)23-15-20/h16-21H,3-15H2,1-2H3.
What are the key properties of 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane?
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane has a molecular weight of 322.53 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane is sourced from PubChem (CID 58620462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).