(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene

C9H15FO — CID 134357763

IUPAC(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene
SMILESC=C(F)/C=C(/C)CC(C)OC
InChIInChI=1S/C9H15FO/c1-7(5-8(2)10)6-9(3)11-4/h5,9H,2,6H2,1,3-4H3/b7-5-
InChIKeyPUFIZDXJLUEEFY-ALCCZGGFSA-N
MW158.22 g/mol
LogP2.84
Rot. Bonds4

About (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene

(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene (PubChem CID 134357763) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene
PubChem CID134357763
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene
SMILESC=C(F)/C=C(/C)CC(C)OC
InChIInChI=1S/C9H15FO/c1-7(5-8(2)10)6-9(3)11-4/h5,9H,2,6H2,1,3-4H3/b7-5-
InChIKeyPUFIZDXJLUEEFY-ALCCZGGFSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene?
The IUPAC name of (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene (CID 134357763) is (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene.
What is the SMILES notation for (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene?
The canonical SMILES for (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene is C=C(F)/C=C(/C)CC(C)OC.
What is the InChIKey of (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene?
The InChIKey is PUFIZDXJLUEEFY-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H15FO/c1-7(5-8(2)10)6-9(3)11-4/h5,9H,2,6H2,1,3-4H3/b7-5-.
What are the key properties of (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene?
(3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene has a molecular weight of 158.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-fluoro-6-methoxy-4-methylhepta-1,3-diene is sourced from PubChem (CID 134357763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).