1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene

C23H34O — CID 126501939

IUPAC1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(=C3CCC(OCC)CC3)CC2)cc1
InChIInChI=1S/C23H34O/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-4-2/h6-9,20,23H,3-5,10-17H2,1-2H3/b22-21-
InChIKeyNOJLEZLVJQOOIN-DQRAZIAOSA-N
MW326.52 g/mol
LogP6.57
Rot. Bonds5

About 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene

1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene (PubChem CID 126501939) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene
PubChem CID126501939
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(=C3CCC(OCC)CC3)CC2)cc1
InChIInChI=1S/C23H34O/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-4-2/h6-9,20,23H,3-5,10-17H2,1-2H3/b22-21-
InChIKeyNOJLEZLVJQOOIN-DQRAZIAOSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.57
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-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098
1-heptyl-4-[4-[3-(4-nonylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739262
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
3-[4-(4-heptylphenyl)cyclohexyl]oxypropyl-iodosilane
CID 123815090
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
CID 122470150
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
3-(4-propylphenyl)oxetane
CID 130361103

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene (CID 126501939) is 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(=C3CCC(OCC)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene?
The InChIKey is NOJLEZLVJQOOIN-DQRAZIAOSA-N. The full InChI is InChI=1S/C23H34O/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-4-2/h6-9,20,23H,3-5,10-17H2,1-2H3/b22-21-.
What are the key properties of 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene?
1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene has a molecular weight of 326.52 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 126501939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).