(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene

C15H25FO2 — CID 144978960

IUPAC(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)OCC(C)C)OCCCF
InChIInChI=1S/C15H25FO2/c1-12(2)11-18-15(5)13(3)7-8-14(4)17-10-6-9-16/h7-8,12,15H,3-4,6,9-11H2,1-2,5H3/b8-7-
InChIKeyDBIFOXISKPSJNI-FPLPWBNLSA-N
MW256.36 g/mol
LogP4.05
Rot. Bonds10

About (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene

(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene (PubChem CID 144978960) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
PubChem CID144978960
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)OCC(C)C)OCCCF
InChIInChI=1S/C15H25FO2/c1-12(2)11-18-15(5)13(3)7-8-14(4)17-10-6-9-16/h7-8,12,15H,3-4,6,9-11H2,1-2,5H3/b8-7-
InChIKeyDBIFOXISKPSJNI-FPLPWBNLSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(2-methylpropoxy)but-1-ene
CID 122225376
(2R)-2-(3-fluoropropoxy)propan-1-ol
CID 173074713
2-methylpropyl pent-4-enyl carbonate
CID 91694409
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
N-[3-(2-fluoroethoxy)buta-1,3-dienyl]methanimine
CID 123946741
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
2-[methyl-[2-[methyl-[3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropyl]amino]ethyl]amino]ethanone;ruthenium(1+)
CID 171071118
(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
CID 143559913
(3Z)-2-methyl-5-(2-methylbutoxy)hexa-1,3,5-triene
CID 143084767

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The IUPAC name of (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene (CID 144978960) is (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene.
What is the SMILES notation for (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The canonical SMILES for (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene is C=C(/C=C\C(=C)C(C)OCC(C)C)OCCCF.
What is the InChIKey of (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
The InChIKey is DBIFOXISKPSJNI-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H25FO2/c1-12(2)11-18-15(5)13(3)7-8-14(4)17-10-6-9-16/h7-8,12,15H,3-4,6,9-11H2,1-2,5H3/b8-7-.
What are the key properties of (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene?
(3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene has a molecular weight of 256.36 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(3-fluoropropoxy)-5-methylidene-6-(2-methylpropoxy)hepta-1,3-diene is sourced from PubChem (CID 144978960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).