1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene

C34H54O2 — CID 59498866

IUPAC1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene
SMILESC=CCCCCC1CCC(c2ccc(OCCCOC3CCC(C4CCC(C)CC4)CC3)cc2)CC1
InChIInChI=1S/C34H54O2/c1-3-4-5-6-8-28-11-15-30(16-12-28)32-19-23-34(24-20-32)36-26-7-25-35-33-21-17-31(18-22-33)29-13-9-27(2)10-14-29/h3,19-20,23-24,27-31,33H,1,4-18,21-22,25-26H2,2H3
InChIKeyRTCNBMKLYSNXGW-UHFFFAOYSA-N
MW494.80 g/mol
LogP9.88
Rot. Bonds13

About 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene

1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene (PubChem CID 59498866) has the molecular formula C34H54O2 and a molecular weight of 494.80 g/mol. Its IUPAC name is 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene.

Molecular Properties

Compound Name1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene
PubChem CID59498866
Molecular FormulaC34H54O2
Molecular Weight494.80 g/mol
Exact Mass494.41
IUPAC Name1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene
SMILESC=CCCCCC1CCC(c2ccc(OCCCOC3CCC(C4CCC(C)CC4)CC3)cc2)CC1
InChIInChI=1S/C34H54O2/c1-3-4-5-6-8-28-11-15-30(16-12-28)32-19-23-34(24-20-32)36-26-7-25-35-33-21-17-31(18-22-33)29-13-9-27(2)10-14-29/h3,19-20,23-24,27-31,33H,1,4-18,21-22,25-26H2,2H3
InChIKeyRTCNBMKLYSNXGW-UHFFFAOYSA-N
XLogP9.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.80
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
CID 59499066
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-[4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]butyl]-4-[3-(4-methylcyclohexyl)oxypropoxy]benzene
CID 59265454
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109

Frequently Asked Questions

What is the IUPAC name of 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene?
The IUPAC name of 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene (CID 59498866) is 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene.
What is the SMILES notation for 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene?
The canonical SMILES for 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene is C=CCCCCC1CCC(c2ccc(OCCCOC3CCC(C4CCC(C)CC4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene?
The InChIKey is RTCNBMKLYSNXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O2/c1-3-4-5-6-8-28-11-15-30(16-12-28)32-19-23-34(24-20-32)36-26-7-25-35-33-21-17-31(18-22-33)29-13-9-27(2)10-14-29/h3,19-20,23-24,27-31,33H,1,4-18,21-22,25-26H2,2H3.
What are the key properties of 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene?
1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene has a molecular weight of 494.80 g/mol, XLogP of 9.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene is sourced from PubChem (CID 59498866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).