1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane

C30H53F — CID 19695219

IUPAC1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(C3CCC(/C=C/CCC(F)CC)CC3)CC2)CC1
InChIInChI=1S/C30H53F/c1-3-5-6-9-24-12-16-26(17-13-24)28-20-22-29(23-21-28)27-18-14-25(15-19-27)10-7-8-11-30(31)4-2/h7,10,24-30H,3-6,8-9,11-23H2,1-2H3/b10-7+
InChIKeyXJFYMWPXERXFGC-JXMROGBWSA-N
MW432.75 g/mol
LogP10.07
Rot. Bonds11

About 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane

1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 19695219) has the molecular formula C30H53F and a molecular weight of 432.75 g/mol. Its IUPAC name is 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID19695219
Molecular FormulaC30H53F
Molecular Weight432.75 g/mol
Exact Mass432.41
IUPAC Name1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
SMILESCCCCCC1CCC(C2CCC(C3CCC(/C=C/CCC(F)CC)CC3)CC2)CC1
InChIInChI=1S/C30H53F/c1-3-5-6-9-24-12-16-26(17-13-24)28-20-22-29(23-21-28)27-18-14-25(15-19-27)10-7-8-11-30(31)4-2/h7,10,24-30H,3-6,8-9,11-23H2,1-2H3/b10-7+
InChIKeyXJFYMWPXERXFGC-JXMROGBWSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane (CID 19695219) is 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane is CCCCCC1CCC(C2CCC(C3CCC(/C=C/CCC(F)CC)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is XJFYMWPXERXFGC-JXMROGBWSA-N. The full InChI is InChI=1S/C30H53F/c1-3-5-6-9-24-12-16-26(17-13-24)28-20-22-29(23-21-28)27-18-14-25(15-19-27)10-7-8-11-30(31)4-2/h7,10,24-30H,3-6,8-9,11-23H2,1-2H3/b10-7+.
What are the key properties of 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane?
1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 432.75 g/mol, XLogP of 10.07, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 19695219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).