2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane

C18H32O2 — CID 58895347

IUPAC2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
SMILESCCCC1CCC(C2CCC(OCC3CO3)CC2)CC1
InChIInChI=1S/C18H32O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19-12-18-13-20-18/h14-18H,2-13H2,1H3
InChIKeyYVTNKRHYJNEBIM-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.57
Rot. Bonds6

About 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane

2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane (PubChem CID 58895347) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
PubChem CID58895347
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
SMILESCCCC1CCC(C2CCC(OCC3CO3)CC2)CC1
InChIInChI=1S/C18H32O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19-12-18-13-20-18/h14-18H,2-13H2,1H3
InChIKeyYVTNKRHYJNEBIM-UHFFFAOYSA-N
XLogP4.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
CID 159848161
5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54380791
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane (CID 58895347) is 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane is CCCC1CCC(C2CCC(OCC3CO3)CC2)CC1.
What is the InChIKey of 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
The InChIKey is YVTNKRHYJNEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19-12-18-13-20-18/h14-18H,2-13H2,1H3.
What are the key properties of 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane?
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane has a molecular weight of 280.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 58895347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).