1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene

C20H28F2O2 — CID 175408902

IUPAC1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
SMILESCC=CCC(C)C1=CCC(COC2=C(F)CC(F)(OC)C=C2)CC1
InChIInChI=1S/C20H28F2O2/c1-4-5-6-15(2)17-9-7-16(8-10-17)14-24-19-11-12-20(22,23-3)13-18(19)21/h4-5,9,11-12,15-16H,6-8,10,13-14H2,1-3H3
InChIKeyBTQFRWZTIWDOHN-UHFFFAOYSA-N
MW338.44 g/mol
LogP5.78
Rot. Bonds7

About 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene

1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene (PubChem CID 175408902) has the molecular formula C20H28F2O2 and a molecular weight of 338.44 g/mol. Its IUPAC name is 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
PubChem CID175408902
Molecular FormulaC20H28F2O2
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
SMILESCC=CCC(C)C1=CCC(COC2=C(F)CC(F)(OC)C=C2)CC1
InChIInChI=1S/C20H28F2O2/c1-4-5-6-15(2)17-9-7-16(8-10-17)14-24-19-11-12-20(22,23-3)13-18(19)21/h4-5,9,11-12,15-16H,6-8,10,13-14H2,1-3H3
InChIKeyBTQFRWZTIWDOHN-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene (CID 175408902) is 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene is CC=CCC(C)C1=CCC(COC2=C(F)CC(F)(OC)C=C2)CC1.
What is the InChIKey of 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene?
The InChIKey is BTQFRWZTIWDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2O2/c1-4-5-6-15(2)17-9-7-16(8-10-17)14-24-19-11-12-20(22,23-3)13-18(19)21/h4-5,9,11-12,15-16H,6-8,10,13-14H2,1-3H3.
What are the key properties of 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene?
1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene has a molecular weight of 338.44 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 175408902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).