6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene

C10H15FO — CID 123674969

IUPAC6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(C=CC(=C)C(C)(C)F)OC
InChIInChI=1S/C10H15FO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2H2,3-5H3
InChIKeyGDPALGRUYYJXNA-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.01
Rot. Bonds4

About 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene

6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene (PubChem CID 123674969) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene
PubChem CID123674969
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(C=CC(=C)C(C)(C)F)OC
InChIInChI=1S/C10H15FO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2H2,3-5H3
InChIKeyGDPALGRUYYJXNA-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.01
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

Methoxydimethyloctadiene
CID 87220842
5-Ethenyl-2-fluoro-5-methoxycyclohexa-1,3-diene
CID 19872219
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
3-Fluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261100
(6R)-1-fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 70219237
5-Ethenyl-6,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 70273700
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
1-Fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 77796632
(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 88565170

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The IUPAC name of 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene (CID 123674969) is 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene is C=C(C=CC(=C)C(C)(C)F)OC.
What is the InChIKey of 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The InChIKey is GDPALGRUYYJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-8(10(3,4)11)6-7-9(2)12-5/h6-7H,1-2H2,3-5H3.
What are the key properties of 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 123674969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).