3-(3-methoxypropoxy)cyclohexene

C10H18O2 — CID 141179589

IUPAC3-(3-methoxypropoxy)cyclohexene
SMILESCOCCCOC1C=CCCC1
InChIInChI=1S/C10H18O2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h3,6,10H,2,4-5,7-9H2,1H3
InChIKeyADRMIYJTKZCHBL-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds5

About 3-(3-methoxypropoxy)cyclohexene

3-(3-methoxypropoxy)cyclohexene (PubChem CID 141179589) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)cyclohexene.

Molecular Properties

Compound Name3-(3-methoxypropoxy)cyclohexene
PubChem CID141179589
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(3-methoxypropoxy)cyclohexene
SMILESCOCCCOC1C=CCCC1
InChIInChI=1S/C10H18O2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h3,6,10H,2,4-5,7-9H2,1H3
InChIKeyADRMIYJTKZCHBL-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)cyclohexene?
The IUPAC name of 3-(3-methoxypropoxy)cyclohexene (CID 141179589) is 3-(3-methoxypropoxy)cyclohexene.
What is the SMILES notation for 3-(3-methoxypropoxy)cyclohexene?
The canonical SMILES for 3-(3-methoxypropoxy)cyclohexene is COCCCOC1C=CCCC1.
What is the InChIKey of 3-(3-methoxypropoxy)cyclohexene?
The InChIKey is ADRMIYJTKZCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-8-5-9-12-10-6-3-2-4-7-10/h3,6,10H,2,4-5,7-9H2,1H3.
What are the key properties of 3-(3-methoxypropoxy)cyclohexene?
3-(3-methoxypropoxy)cyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)cyclohexene is sourced from PubChem (CID 141179589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).