6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene

C18H32O — CID 142741580

IUPAC6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene
SMILESCCCC1(OC)C=CC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-12-18(19-3)13-10-17(11-14-18)16-8-6-15(5-2)7-9-16/h10,13,15-17H,4-9,11-12,14H2,1-3H3
InChIKeyWZCXXSDVIQTXFN-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.35
Rot. Bonds5

About 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene

6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene (PubChem CID 142741580) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene
PubChem CID142741580
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene
SMILESCCCC1(OC)C=CC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32O/c1-4-12-18(19-3)13-10-17(11-14-18)16-8-6-15(5-2)7-9-16/h10,13,15-17H,4-9,11-12,14H2,1-3H3
InChIKeyWZCXXSDVIQTXFN-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene?
The IUPAC name of 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene (CID 142741580) is 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene.
What is the SMILES notation for 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene?
The canonical SMILES for 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene is CCCC1(OC)C=CC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene?
The InChIKey is WZCXXSDVIQTXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-4-12-18(19-3)13-10-17(11-14-18)16-8-6-15(5-2)7-9-16/h10,13,15-17H,4-9,11-12,14H2,1-3H3.
What are the key properties of 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene?
6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene has a molecular weight of 264.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)-3-methoxy-3-propylcyclohexene is sourced from PubChem (CID 142741580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).