(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene

C15H23FO — CID 118018675

IUPAC(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
SMILESCCC1=CCC(C2=CCC(F)CC2)C[C@@H]1OC
InChIInChI=1S/C15H23FO/c1-3-11-4-5-13(10-15(11)17-2)12-6-8-14(16)9-7-12/h4,6,13-15H,3,5,7-10H2,1-2H3/t13?,14?,15-/m0/s1
InChIKeyVUTNSPCLPGDSFX-NRXISQOPSA-N
MW238.35 g/mol
LogP4.20
Rot. Bonds3

About (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene

(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene (PubChem CID 118018675) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene.

Molecular Properties

Compound Name(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
PubChem CID118018675
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene
SMILESCCC1=CCC(C2=CCC(F)CC2)C[C@@H]1OC
InChIInChI=1S/C15H23FO/c1-3-11-4-5-13(10-15(11)17-2)12-6-8-14(16)9-7-12/h4,6,13-15H,3,5,7-10H2,1-2H3/t13?,14?,15-/m0/s1
InChIKeyVUTNSPCLPGDSFX-NRXISQOPSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.20
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

Methyl piperitol
CID 12284330
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
cis-3-Ethoxy-p-menth-1-ene
CID 85842332
(3R,4aS,5R,7R)-7-methoxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 171358820
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
6-fluoro-2-propyl-3,4,6,7,8,8a-hexahydro-2H-chromene
CID 163646733
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
6-Methoxy-1-methyl-4-propan-2-ylcyclohexene
CID 564572
Lanceoloxide
CID 91749733
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
2H-Pyran, 2-bicyclo[2.2.1]hept-5-en-2-yltetrahydro-4,6-dimethyl-, didehydro deriv.
CID 138401795

Frequently Asked Questions

What is the IUPAC name of (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene?
The IUPAC name of (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene (CID 118018675) is (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene.
What is the SMILES notation for (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene?
The canonical SMILES for (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene is CCC1=CCC(C2=CCC(F)CC2)C[C@@H]1OC.
What is the InChIKey of (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene?
The InChIKey is VUTNSPCLPGDSFX-NRXISQOPSA-N. The full InChI is InChI=1S/C15H23FO/c1-3-11-4-5-13(10-15(11)17-2)12-6-8-14(16)9-7-12/h4,6,13-15H,3,5,7-10H2,1-2H3/t13?,14?,15-/m0/s1.
What are the key properties of (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene?
(6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene has a molecular weight of 238.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-ethyl-4-(4-fluorocyclohexen-1-yl)-6-methoxycyclohexene is sourced from PubChem (CID 118018675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).