2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane

C19H29FO4 — CID 22910584

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
SMILESC/C=C/C1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C19H29FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h2-3,7,14-16,18-19H,4-6,8-13H2,1H3/b3-2+
InChIKeyYMCWFMTVMSFDQA-NSCUHMNNSA-N
MW340.44 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane

2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane (PubChem CID 22910584) has the molecular formula C19H29FO4 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
PubChem CID22910584
Molecular FormulaC19H29FO4
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
SMILESC/C=C/C1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1
InChIInChI=1S/C19H29FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h2-3,7,14-16,18-19H,4-6,8-13H2,1H3/b3-2+
InChIKeyYMCWFMTVMSFDQA-NSCUHMNNSA-N
XLogP3.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,9-Di-3-cyclohexen-1-yl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 98143
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]-1,3-dioxane
CID 20599482
5-Butyl-2-[2-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22378546
5-[(E)-but-1-enyl]-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876091
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 22876095
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 22876096
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-[(E)-prop-1-enyl]-1,3-dioxane
CID 22876098
5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876133
5-But-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876134
5-Butyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876135
5-Ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876136
2-(4-fluorocyclohex-3-en-1-yl)-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 22876137

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane (CID 22910584) is 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane is C/C=C/C1COC(CCC2COC(C3CC=C(F)CC3)OC2)OC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The InChIKey is YMCWFMTVMSFDQA-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H29FO4/c1-2-3-14-10-21-18(22-11-14)9-4-15-12-23-19(24-13-15)16-5-7-17(20)8-6-16/h2-3,7,14-16,18-19H,4-6,8-13H2,1H3/b3-2+.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane has a molecular weight of 340.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 22910584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).