1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene

C17H30O3 — CID 123421371

IUPAC1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene
SMILESCOC1(OCCCCOC2=CCCCC2)CCCCC1
InChIInChI=1S/C17H30O3/c1-18-17(12-6-3-7-13-17)20-15-9-8-14-19-16-10-4-2-5-11-16/h10H,2-9,11-15H2,1H3
InChIKeyRJHRTDRHFGEXRU-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.56
Rot. Bonds8

About 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene

1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene (PubChem CID 123421371) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene.

Molecular Properties

Compound Name1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene
PubChem CID123421371
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene
SMILESCOC1(OCCCCOC2=CCCCC2)CCCCC1
InChIInChI=1S/C17H30O3/c1-18-17(12-6-3-7-13-17)20-15-9-8-14-19-16-10-4-2-5-11-16/h10H,2-9,11-15H2,1H3
InChIKeyRJHRTDRHFGEXRU-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene?
The IUPAC name of 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene (CID 123421371) is 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene.
What is the SMILES notation for 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene?
The canonical SMILES for 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene is COC1(OCCCCOC2=CCCCC2)CCCCC1.
What is the InChIKey of 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene?
The InChIKey is RJHRTDRHFGEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-18-17(12-6-3-7-13-17)20-15-9-8-14-19-16-10-4-2-5-11-16/h10H,2-9,11-15H2,1H3.
What are the key properties of 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene?
1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene has a molecular weight of 282.42 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxycyclohexyl)oxybutoxy]cyclohexene is sourced from PubChem (CID 123421371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).