(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene

C11H17FO2 — CID 89318749

IUPAC(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)F)OCCCOC
InChIInChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,1,5,8-9H2,2-3H3/b10-6+,11-7+
InChIKeySIEMPOPJTRSYAY-JMQWPVDRSA-N
MW200.25 g/mol
LogP2.98
Rot. Bonds7

About (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene

(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene (PubChem CID 89318749) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
PubChem CID89318749
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)F)OCCCOC
InChIInChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,1,5,8-9H2,2-3H3/b10-6+,11-7+
InChIKeySIEMPOPJTRSYAY-JMQWPVDRSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.98
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'}

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Related Compounds

4-methoxybutyl prop-2-enoate
CID 22321356
3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypropanamide
CID 143073997
(3E,5Z)-3-butoxyhepta-1,3,5-triene
CID 142022135
(3E,5E)-3,6-difluorohepta-1,3,5-triene
CID 126636482
1-ethenoxy-3-methoxypropane
CID 22058891
N-ethyl-2-[2-[2-[3-[(3E)-hexa-1,3,5-trien-3-yl]oxypropoxy]ethoxy]ethoxy]ethanamine
CID 177193641
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
(3Z)-N-(3-methoxypropyl)penta-1,3-dien-3-amine
CID 118181224
2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl-trimethylazanium
CID 171492309
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
4-amino-7-methoxyhept-1-en-3-one
CID 116593727

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene?
The IUPAC name of (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene (CID 89318749) is (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene is C=C/C(=C\C=C(/C)F)OCCCOC.
What is the InChIKey of (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene?
The InChIKey is SIEMPOPJTRSYAY-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,1,5,8-9H2,2-3H3/b10-6+,11-7+.
What are the key properties of (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene?
(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene has a molecular weight of 200.25 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene is sourced from PubChem (CID 89318749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).