5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane

C19H31FO — CID 57152269

IUPAC5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C19H31FO/c1-2-14-3-5-15(6-4-14)17-9-12-19(21-13-17)16-7-10-18(20)11-8-16/h10,14-17,19H,2-9,11-13H2,1H3
InChIKeyHKHXYHDEXVRCFS-UHFFFAOYSA-N
MW294.45 g/mol
LogP5.65
Rot. Bonds3

About 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane

5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane (PubChem CID 57152269) has the molecular formula C19H31FO and a molecular weight of 294.45 g/mol. Its IUPAC name is 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane.

Molecular Properties

Compound Name5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane
PubChem CID57152269
Molecular FormulaC19H31FO
Molecular Weight294.45 g/mol
Exact Mass294.24
IUPAC Name5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C19H31FO/c1-2-14-3-5-15(6-4-14)17-9-12-19(21-13-17)16-7-10-18(20)11-8-16/h10,14-17,19H,2-9,11-13H2,1H3
InChIKeyHKHXYHDEXVRCFS-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The IUPAC name of 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane (CID 57152269) is 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane.
What is the SMILES notation for 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The canonical SMILES for 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane is CCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1.
What is the InChIKey of 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The InChIKey is HKHXYHDEXVRCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FO/c1-2-14-3-5-15(6-4-14)17-9-12-19(21-13-17)16-7-10-18(20)11-8-16/h10,14-17,19H,2-9,11-13H2,1H3.
What are the key properties of 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane?
5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane has a molecular weight of 294.45 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexyl)-2-(4-fluorocyclohex-3-en-1-yl)oxane is sourced from PubChem (CID 57152269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).