(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene

C10H17FO — CID 146335363

IUPAC(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene
SMILESC/C=C(F)\C=C(/COC)C(C)C
InChIInChI=1S/C10H17FO/c1-5-10(11)6-9(7-12-4)8(2)3/h5-6,8H,7H2,1-4H3/b9-6+,10-5+
InChIKeyCPRRAXUHQSEYHG-TXFIJWAUSA-N
MW172.24 g/mol
LogP3.09
Rot. Bonds4

About (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene

(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene (PubChem CID 146335363) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene
PubChem CID146335363
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene
SMILESC/C=C(F)\C=C(/COC)C(C)C
InChIInChI=1S/C10H17FO/c1-5-10(11)6-9(7-12-4)8(2)3/h5-6,8H,7H2,1-4H3/b9-6+,10-5+
InChIKeyCPRRAXUHQSEYHG-TXFIJWAUSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.09
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 (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene (CID 146335363) is (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene is C/C=C(F)\C=C(/COC)C(C)C.
What is the InChIKey of (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene?
The InChIKey is CPRRAXUHQSEYHG-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H17FO/c1-5-10(11)6-9(7-12-4)8(2)3/h5-6,8H,7H2,1-4H3/b9-6+,10-5+.
What are the key properties of (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene?
(2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene has a molecular weight of 172.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-5-(methoxymethyl)-6-methylhepta-2,4-diene is sourced from PubChem (CID 146335363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).