1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene

C22H37FO — CID 144978944

IUPAC1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene
SMILESC=CC(C)CCC(C)C(C)CCC(C)C1=CC=C(OCCF)CC1
InChIInChI=1S/C22H37FO/c1-6-17(2)7-8-18(3)19(4)9-10-20(5)21-11-13-22(14-12-21)24-16-15-23/h6,11,13,17-20H,1,7-10,12,14-16H2,2-5H3
InChIKeyWTKVZMUNAJFDRR-UHFFFAOYSA-N
MW336.54 g/mol
LogP6.87
Rot. Bonds12

About 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene

1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene (PubChem CID 144978944) has the molecular formula C22H37FO and a molecular weight of 336.54 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene
PubChem CID144978944
Molecular FormulaC22H37FO
Molecular Weight336.54 g/mol
Exact Mass336.28
IUPAC Name1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene
SMILESC=CC(C)CCC(C)C(C)CCC(C)C1=CC=C(OCCF)CC1
InChIInChI=1S/C22H37FO/c1-6-17(2)7-8-18(3)19(4)9-10-20(5)21-11-13-22(14-12-21)24-16-15-23/h6,11,13,17-20H,1,7-10,12,14-16H2,2-5H3
InChIKeyWTKVZMUNAJFDRR-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene (CID 144978944) is 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene is C=CC(C)CCC(C)C(C)CCC(C)C1=CC=C(OCCF)CC1.
What is the InChIKey of 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene?
The InChIKey is WTKVZMUNAJFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37FO/c1-6-17(2)7-8-18(3)19(4)9-10-20(5)21-11-13-22(14-12-21)24-16-15-23/h6,11,13,17-20H,1,7-10,12,14-16H2,2-5H3.
What are the key properties of 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene?
1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene has a molecular weight of 336.54 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-4-(5,6,9-trimethylundec-10-en-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 144978944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).