1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane

C26H46O — CID 22886323

IUPAC1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESC=CC1CCC(OCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C26H46O/c1-3-5-6-7-22-8-14-24(15-9-22)25-16-10-23(11-17-25)20-27-26-18-12-21(4-2)13-19-26/h4,21-26H,2-3,5-20H2,1H3
InChIKeyDEVPKOPGJPCWEO-UHFFFAOYSA-N
MW374.65 g/mol
LogP7.94
Rot. Bonds9

About 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane

1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane (PubChem CID 22886323) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
PubChem CID22886323
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESC=CC1CCC(OCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C26H46O/c1-3-5-6-7-22-8-14-24(15-9-22)25-16-10-23(11-17-25)20-27-26-18-12-21(4-2)13-19-26/h4,21-26H,2-3,5-20H2,1H3
InChIKeyDEVPKOPGJPCWEO-UHFFFAOYSA-N
XLogP7.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-heptyl-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19850398
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The IUPAC name of 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane (CID 22886323) is 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane is C=CC1CCC(OCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The InChIKey is DEVPKOPGJPCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-3-5-6-7-22-8-14-24(15-9-22)25-16-10-23(11-17-25)20-27-26-18-12-21(4-2)13-19-26/h4,21-26H,2-3,5-20H2,1H3.
What are the key properties of 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane has a molecular weight of 374.65 g/mol, XLogP of 7.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 22886323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).