3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane

C30H52F2O3 — CID 56633736

IUPAC3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane
SMILESFCCCCCCC=CCCC1CCCOC1OC1OCCCC1CCC=CCCCCCCF
InChIInChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2
InChIKeyGNSPSWHSBICUBP-UHFFFAOYSA-N
MW498.74 g/mol
LogP9.02
Rot. Bonds20

About 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane

3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane (PubChem CID 56633736) has the molecular formula C30H52F2O3 and a molecular weight of 498.74 g/mol. Its IUPAC name is 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane
PubChem CID56633736
Molecular FormulaC30H52F2O3
Molecular Weight498.74 g/mol
Exact Mass498.39
IUPAC Name3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane
SMILESFCCCCCCC=CCCC1CCCOC1OC1OCCCC1CCC=CCCCCCCF
InChIInChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2
InChIKeyGNSPSWHSBICUBP-UHFFFAOYSA-N
XLogP9.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.74
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[4-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]butoxy]oxane
CID 11108235
2-[3-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]propoxy]oxane
CID 11118498
2-[6-[(2Z,6Z)-cycloocta-2,6-dien-1-yl]hexoxy]oxane
CID 11822465
5-[(E)-but-1-enyl]-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876091
5-But-3-enyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876092
5-Butyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876093
5-Ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
CID 22876094
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-pentyl-1,3-dioxane
CID 22876097
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-[(E)-prop-1-enyl]-1,3-dioxane
CID 22876098
2-[2-(4-Fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane
CID 22876099

Frequently Asked Questions

What is the IUPAC name of 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane?
The IUPAC name of 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane (CID 56633736) is 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane?
The canonical SMILES for 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane is FCCCCCCC=CCCC1CCCOC1OC1OCCCC1CCC=CCCCCCCF.
What is the InChIKey of 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane?
The InChIKey is GNSPSWHSBICUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52F2O3/c31-23-15-11-7-3-1-5-9-13-19-27-21-17-25-33-29(27)35-30-28(22-18-26-34-30)20-14-10-6-2-4-8-12-16-24-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2.
What are the key properties of 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane?
3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane has a molecular weight of 498.74 g/mol, XLogP of 9.02, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-fluorodec-3-enyl)-2-[3-(10-fluorodec-3-enyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 56633736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).