1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane

C22H41FO — CID 145312701

IUPAC1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane
SMILESCCCCC/C=C/CC(CF)OCC1CCC(CCCCC)CC1
InChIInChI=1S/C22H41FO/c1-3-5-7-8-9-11-13-22(18-23)24-19-21-16-14-20(15-17-21)12-10-6-4-2/h9,11,20-22H,3-8,10,12-19H2,1-2H3/b11-9+
InChIKeyJAJAYMQMIHJKDW-PKNBQFBNSA-N
MW340.57 g/mol
LogP7.25
Rot. Bonds14

About 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane

1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane (PubChem CID 145312701) has the molecular formula C22H41FO and a molecular weight of 340.57 g/mol. Its IUPAC name is 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane.

Molecular Properties

Compound Name1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane
PubChem CID145312701
Molecular FormulaC22H41FO
Molecular Weight340.57 g/mol
Exact Mass340.31
IUPAC Name1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane
SMILESCCCCC/C=C/CC(CF)OCC1CCC(CCCCC)CC1
InChIInChI=1S/C22H41FO/c1-3-5-7-8-9-11-13-22(18-23)24-19-21-16-14-20(15-17-21)12-10-6-4-2/h9,11,20-22H,3-8,10,12-19H2,1-2H3/b11-9+
InChIKeyJAJAYMQMIHJKDW-PKNBQFBNSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.57
LogP ≤ 57.25
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'}

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Related Compounds

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
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
4-[(E)-7-fluorohept-3-enyl]-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 19695409
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-[(E)-5-fluorohept-3-enyl]-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695469
1-ethoxy-4-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]cyclohexane
CID 19695478
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane?
The IUPAC name of 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane (CID 145312701) is 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane.
What is the SMILES notation for 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane?
The canonical SMILES for 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane is CCCCC/C=C/CC(CF)OCC1CCC(CCCCC)CC1.
What is the InChIKey of 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane?
The InChIKey is JAJAYMQMIHJKDW-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H41FO/c1-3-5-7-8-9-11-13-22(18-23)24-19-21-16-14-20(15-17-21)12-10-6-4-2/h9,11,20-22H,3-8,10,12-19H2,1-2H3/b11-9+.
What are the key properties of 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane?
1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane has a molecular weight of 340.57 g/mol, XLogP of 7.25, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-1-fluorodec-4-en-2-yl]oxymethyl]-4-pentylcyclohexane is sourced from PubChem (CID 145312701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).