(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene

C13H22F2O — CID 118964537

IUPAC(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene
SMILESC=CC(C[C@@H](CC)CC(=C)C)OC(C)(F)F
InChIInChI=1S/C13H22F2O/c1-6-11(8-10(3)4)9-12(7-2)16-13(5,14)15/h7,11-12H,2-3,6,8-9H2,1,4-5H3/t11-,12?/m0/s1
InChIKeyGOOKHZDESVMIQS-PXYINDEMSA-N
MW232.31 g/mol
LogP4.55
Rot. Bonds8

About (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene

(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene (PubChem CID 118964537) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene.

Molecular Properties

Compound Name(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene
PubChem CID118964537
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene
SMILESC=CC(C[C@@H](CC)CC(=C)C)OC(C)(F)F
InChIInChI=1S/C13H22F2O/c1-6-11(8-10(3)4)9-12(7-2)16-13(5,14)15/h7,11-12H,2-3,6,8-9H2,1,4-5H3/t11-,12?/m0/s1
InChIKeyGOOKHZDESVMIQS-PXYINDEMSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.55
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 (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene?
The IUPAC name of (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene (CID 118964537) is (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene.
What is the SMILES notation for (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene?
The canonical SMILES for (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene is C=CC(C[C@@H](CC)CC(=C)C)OC(C)(F)F.
What is the InChIKey of (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene?
The InChIKey is GOOKHZDESVMIQS-PXYINDEMSA-N. The full InChI is InChI=1S/C13H22F2O/c1-6-11(8-10(3)4)9-12(7-2)16-13(5,14)15/h7,11-12H,2-3,6,8-9H2,1,4-5H3/t11-,12?/m0/s1.
What are the key properties of (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene?
(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene has a molecular weight of 232.31 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene is sourced from PubChem (CID 118964537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).