4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene

C9H15FO — CID 123911803

IUPAC4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene
SMILESC=C(C)C(OC(C)C)=C(C)F
InChIInChI=1S/C9H15FO/c1-6(2)9(8(5)10)11-7(3)4/h7H,1H2,2-5H3
InChIKeyZZUBHWJWYUXHNK-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.19
Rot. Bonds3

About 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene

4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene (PubChem CID 123911803) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene.

Molecular Properties

Compound Name4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene
PubChem CID123911803
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene
SMILESC=C(C)C(OC(C)C)=C(C)F
InChIInChI=1S/C9H15FO/c1-6(2)9(8(5)10)11-7(3)4/h7H,1H2,2-5H3
InChIKeyZZUBHWJWYUXHNK-UHFFFAOYSA-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

(3Z)-3,4-difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 88565170
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
3,4-Difluoro-5-methoxy-2,6-dimethylhepta-1,3,5-triene
CID 123168046
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
2-(1-Fluoroethoxy)-5-methylhexa-1,3,5-triene
CID 123750418
3-Fluoro-5-methoxy-2-methylhepta-1,3,5-triene
CID 123797230
(3Z,5Z)-4-fluoro-3-methoxy-2-methylhepta-1,3,5-triene
CID 126636645
(7S)-5-ethoxy-1-fluoro-3,7-dimethylcyclohepta-1,3,5-triene
CID 130224323
(3Z,5E)-7-fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 134365628
(3Z,5Z)-3-fluoro-4-[(E)-pent-3-en-2-yl]oxyhepta-1,3,5-triene
CID 134448842
(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene
CID 134449364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene?
The IUPAC name of 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene (CID 123911803) is 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene.
What is the SMILES notation for 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene?
The canonical SMILES for 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene is C=C(C)C(OC(C)C)=C(C)F.
What is the InChIKey of 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene?
The InChIKey is ZZUBHWJWYUXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-6(2)9(8(5)10)11-7(3)4/h7H,1H2,2-5H3.
What are the key properties of 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene?
4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-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 4-fluoro-2-methyl-3-propan-2-yloxypenta-1,3-diene is sourced from PubChem (CID 123911803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).