(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene

C9H15FO — CID 143035409

IUPAC(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene
SMILESC/C=C(C)\C(OC)=C(\F)CC
InChIInChI=1S/C9H15FO/c1-5-7(3)9(11-4)8(10)6-2/h5H,6H2,1-4H3/b7-5-,9-8-
InChIKeyFHLLNPLBTQWZLA-PJHABFGRSA-N
MW158.22 g/mol
LogP3.19
Rot. Bonds3

About (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene

(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene (PubChem CID 143035409) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene
PubChem CID143035409
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene
SMILESC/C=C(C)\C(OC)=C(\F)CC
InChIInChI=1S/C9H15FO/c1-5-7(3)9(11-4)8(10)6-2/h5H,6H2,1-4H3/b7-5-,9-8-
InChIKeyFHLLNPLBTQWZLA-PJHABFGRSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Magnesium bromide 4-methoxy-3,5-dimethylbenzen-1-ide (1/1/1)
CID 12914311
2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
3-Methoxycyclohepta-1,3,5-triene
CID 12570344
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
2,4-Dimethyl-6-methylidenepyran
CID 20660053
2-(6-Methylhepta-2,5-dien-2-yl)oxirene
CID 54175100
Methoxydimethyloctadiene
CID 87220842
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene (CID 143035409) is (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene is C/C=C(C)\C(OC)=C(\F)CC.
What is the InChIKey of (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene?
The InChIKey is FHLLNPLBTQWZLA-PJHABFGRSA-N. The full InChI is InChI=1S/C9H15FO/c1-5-7(3)9(11-4)8(10)6-2/h5H,6H2,1-4H3/b7-5-,9-8-.
What are the key properties of (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene?
(2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene has a molecular weight of 158.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-fluoro-4-methoxy-3-methylhepta-2,4-diene is sourced from PubChem (CID 143035409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).