8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene

C15H28F2O — CID 123735951

IUPAC8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene
SMILESC=CC(C)CCC(C)C(C)C(F)C(F)C(C)OC
InChIInChI=1S/C15H28F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-15H,1,8-9H2,2-6H3
InChIKeyJADXOKBNIRJPNA-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.57
Rot. Bonds9

About 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene

8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene (PubChem CID 123735951) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene.

Molecular Properties

Compound Name8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene
PubChem CID123735951
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene
SMILESC=CC(C)CCC(C)C(C)C(F)C(F)C(C)OC
InChIInChI=1S/C15H28F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-15H,1,8-9H2,2-6H3
InChIKeyJADXOKBNIRJPNA-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 20645959
1-(4-But-3-enylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 68400126
1-[4-(4-Ethenylheptyl)cyclohexyl]-2,3-difluoro-4-methoxycyclohexane
CID 70653673
(1S)-1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 89757021
1-But-3-enyl-3-(trifluoromethoxy)cyclohexane
CID 91116227
1-(4-Ethenylheptyl)-2,3-difluoro-4-methoxycyclohexane
CID 117646552
1-(8-Ethenyl-4-propylundecyl)-2,3-difluoro-4-methoxycyclohexane
CID 118181745
2,3-Difluoro-1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 118191202
5-Ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
CID 122536278
1-(9,9-Difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
CID 122536282
1-Ethenyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 129043434
1-(2,7-Difluoroheptan-3-yloxymethyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 129171115

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene?
The IUPAC name of 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene (CID 123735951) is 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene.
What is the SMILES notation for 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene?
The canonical SMILES for 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene is C=CC(C)CCC(C)C(C)C(F)C(F)C(C)OC.
What is the InChIKey of 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene?
The InChIKey is JADXOKBNIRJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-15H,1,8-9H2,2-6H3.
What are the key properties of 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene?
8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene has a molecular weight of 262.38 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-10-methoxy-3,6,7-trimethylundec-1-ene is sourced from PubChem (CID 123735951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).