4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene

C58H106O — CID 139803872

IUPAC4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
SMILESCCCCCCCC1CCC(CCCCC2CC=C(CCCCCCOCCCCCCC3=CCC(CCCCC4CCC(CCCCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C58H106O/c1-3-5-7-9-15-25-51-33-41-55(42-34-51)29-19-21-31-57-45-37-53(38-46-57)27-17-11-13-23-49-59-50-24-14-12-18-28-54-39-47-58(48-40-54)32-22-20-30-56-43-35-52(36-44-56)26-16-10-8-6-4-2/h37,39,51-52,55-58H,3-36,38,40-50H2,1-2H3
InChIKeyARHWOMFVNLCKQA-UHFFFAOYSA-N
MW819.48 g/mol
LogP19.81
Rot. Bonds36

About 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene

4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene (PubChem CID 139803872) has the molecular formula C58H106O and a molecular weight of 819.48 g/mol. Its IUPAC name is 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene.

Molecular Properties

Compound Name4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
PubChem CID139803872
Molecular FormulaC58H106O
Molecular Weight819.48 g/mol
Exact Mass818.82
IUPAC Name4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
SMILESCCCCCCCC1CCC(CCCCC2CC=C(CCCCCCOCCCCCCC3=CCC(CCCCC4CCC(CCCCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C58H106O/c1-3-5-7-9-15-25-51-33-41-55(42-34-51)29-19-21-31-57-45-37-53(38-46-57)27-17-11-13-23-49-59-50-24-14-12-18-28-54-39-47-58(48-40-54)32-22-20-30-56-43-35-52(36-44-56)26-16-10-8-6-4-2/h37,39,51-52,55-58H,3-36,38,40-50H2,1-2H3
InChIKeyARHWOMFVNLCKQA-UHFFFAOYSA-N
XLogP19.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.48
LogP ≤ 519.81
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'}

Analyze 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene with MolForge

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Related Compounds

4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
1-(2-cycloheptylethyl)-4-hexylcycloheptene
CID 91180129
1-nonyl-4-prop-2-enylcyclohexene
CID 175939867
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290
1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803818
3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene?
The IUPAC name of 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene (CID 139803872) is 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene.
What is the SMILES notation for 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene?
The canonical SMILES for 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene is CCCCCCCC1CCC(CCCCC2CC=C(CCCCCCOCCCCCCC3=CCC(CCCCC4CCC(CCCCCCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene?
The InChIKey is ARHWOMFVNLCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H106O/c1-3-5-7-9-15-25-51-33-41-55(42-34-51)29-19-21-31-57-45-37-53(38-46-57)27-17-11-13-23-49-59-50-24-14-12-18-28-54-39-47-58(48-40-54)32-22-20-30-56-43-35-52(36-44-56)26-16-10-8-6-4-2/h37,39,51-52,55-58H,3-36,38,40-50H2,1-2H3.
What are the key properties of 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene?
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene has a molecular weight of 819.48 g/mol, XLogP of 19.81, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene is sourced from PubChem (CID 139803872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).