1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane

C23H41FO — CID 19695360

IUPAC1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
SMILESCOC(C)C1CCC(CCC2CCC(CC/C=C/CCF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3/b4-3+
InChIKeyBPQWPARBWFLHSQ-ONEGZZNKSA-N
MW352.58 g/mol
LogP7.11
Rot. Bonds10

About 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane

1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 19695360) has the molecular formula C23H41FO and a molecular weight of 352.58 g/mol. Its IUPAC name is 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID19695360
Molecular FormulaC23H41FO
Molecular Weight352.58 g/mol
Exact Mass352.31
IUPAC Name1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
SMILESCOC(C)C1CCC(CCC2CCC(CC/C=C/CCF)CC2)CC1
InChIInChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3/b4-3+
InChIKeyBPQWPARBWFLHSQ-ONEGZZNKSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.58
LogP ≤ 57.11
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-(difluoromethoxy)-4-[(E)-4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657537
1-(difluoromethoxy)-4-[(E)-4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657538
1-(difluoromethoxy)-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657539
1-ethyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657552
1-pentyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657553
1-propyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657554
1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19695318
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane (CID 19695360) is 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane is COC(C)C1CCC(CCC2CCC(CC/C=C/CCF)CC2)CC1.
What is the InChIKey of 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is BPQWPARBWFLHSQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H41FO/c1-19(25-2)23-16-14-22(15-17-23)13-12-21-10-8-20(9-11-21)7-5-3-4-6-18-24/h3-4,19-23H,5-18H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane?
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 352.58 g/mol, XLogP of 7.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 19695360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).