2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane

C24H42O — CID 58620646

IUPAC2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
SMILESC=CC1CCC(C2CCC(C3CCC(CCCCC)CC3)CC2)CO1
InChIInChI=1S/C24H42O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(4-2)25-18-23/h4,19-24H,2-3,5-18H2,1H3
InChIKeyURNFQSFWMBZAMC-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.16
Rot. Bonds7

About 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane

2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane (PubChem CID 58620646) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane.

Molecular Properties

Compound Name2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
PubChem CID58620646
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
SMILESC=CC1CCC(C2CCC(C3CCC(CCCCC)CC3)CC2)CO1
InChIInChI=1S/C24H42O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(4-2)25-18-23/h4,19-24H,2-3,5-18H2,1H3
InChIKeyURNFQSFWMBZAMC-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.16
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

2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
CID 76840289
2-ethenyl-5-(4-methylcyclohexyl)oxane
CID 143210182
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-[4-(3-fluoropropyl)cyclohexyl]-4-(4-octylcyclohexyl)cyclohexane
CID 54536291
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane?
The IUPAC name of 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane (CID 58620646) is 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane.
What is the SMILES notation for 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane?
The canonical SMILES for 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane is C=CC1CCC(C2CCC(C3CCC(CCCCC)CC3)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane?
The InChIKey is URNFQSFWMBZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-17-24(4-2)25-18-23/h4,19-24H,2-3,5-18H2,1H3.
What are the key properties of 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane?
2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane has a molecular weight of 346.60 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane is sourced from PubChem (CID 58620646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).