3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene

C17H30O3 — CID 88978851

IUPAC3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene
SMILESCOC(C)OCCOC1C=CC(C2CCCCC2)CC1
InChIInChI=1S/C17H30O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10,14-17H,3-7,9,11-13H2,1-2H3
InChIKeyBOJMCFAMSSZKDN-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.93
Rot. Bonds7

About 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene

3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene (PubChem CID 88978851) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene.

Molecular Properties

Compound Name3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene
PubChem CID88978851
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene
SMILESCOC(C)OCCOC1C=CC(C2CCCCC2)CC1
InChIInChI=1S/C17H30O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10,14-17H,3-7,9,11-13H2,1-2H3
InChIKeyBOJMCFAMSSZKDN-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.93
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene?
The IUPAC name of 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene (CID 88978851) is 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene.
What is the SMILES notation for 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene?
The canonical SMILES for 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene is COC(C)OCCOC1C=CC(C2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene?
The InChIKey is BOJMCFAMSSZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10,14-17H,3-7,9,11-13H2,1-2H3.
What are the key properties of 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene?
3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene has a molecular weight of 282.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene is sourced from PubChem (CID 88978851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).