1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane

C24H40O — CID 130414810

IUPAC1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C3CCC(OC/C=C/C)CC3)CC2)CC1
InChIInChI=1S/C24H40O/c1-3-5-18-25-24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h3-5,19-24H,2,6-18H2,1H3/b5-3+
InChIKeyJJFYINLMPWIMAG-HWKANZROSA-N
MW344.58 g/mol
LogP6.94
Rot. Bonds6

About 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane

1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 130414810) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID130414810
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C3CCC(OC/C=C/C)CC3)CC2)CC1
InChIInChI=1S/C24H40O/c1-3-5-18-25-24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h3-5,19-24H,2,6-18H2,1H3/b5-3+
InChIKeyJJFYINLMPWIMAG-HWKANZROSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.94
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-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
CID 67864622
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
CID 155647310
1-(2,2-difluoroethenyl)-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]cyclohexane
CID 130414821
1-(4-ethenylcyclohexyl)-4-[(E)-pent-3-enyl]cycloheptane
CID 142082200
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54380791
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane (CID 130414810) is 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(C3CCC(OC/C=C/C)CC3)CC2)CC1.
What is the InChIKey of 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is JJFYINLMPWIMAG-HWKANZROSA-N. The full InChI is InChI=1S/C24H40O/c1-3-5-18-25-24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-6-19(4-2)7-9-20/h3-5,19-24H,2,6-18H2,1H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane?
1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 344.58 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 130414810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).