1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane

C15H26O — CID 58555888

IUPAC1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
SMILESC=CC1CCC(C2CCC(OCC)C2)CC1
InChIInChI=1S/C15H26O/c1-3-12-5-7-13(8-6-12)14-9-10-15(11-14)16-4-2/h3,12-15H,1,4-11H2,2H3
InChIKeyPOQWHVKDUHQFFY-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds4

About 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane

1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane (PubChem CID 58555888) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
PubChem CID58555888
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
SMILESC=CC1CCC(C2CCC(OCC)C2)CC1
InChIInChI=1S/C15H26O/c1-3-12-5-7-13(8-6-12)14-9-10-15(11-14)16-4-2/h3,12-15H,1,4-11H2,2H3
InChIKeyPOQWHVKDUHQFFY-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
2-ethoxy-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58719019
1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 130414810
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
CID 155647310
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-ethenoxy-4-ethoxycyclohexane
CID 87407943
[4-(4-ethenylcyclohexyl)cyclohexyl] 4-(3-propylcyclopentyl)cyclohexane-1-carboxylate
CID 58555540

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane?
The IUPAC name of 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane (CID 58555888) is 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane.
What is the SMILES notation for 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane?
The canonical SMILES for 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane is C=CC1CCC(C2CCC(OCC)C2)CC1.
What is the InChIKey of 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane?
The InChIKey is POQWHVKDUHQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-12-5-7-13(8-6-12)14-9-10-15(11-14)16-4-2/h3,12-15H,1,4-11H2,2H3.
What are the key properties of 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane?
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane has a molecular weight of 222.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane is sourced from PubChem (CID 58555888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).