(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene

C10H15FO2 — CID 90274331

IUPAC(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene
SMILESC=C/C=C\C(=C(/C)F)C(OC)OC
InChIInChI=1S/C10H15FO2/c1-5-6-7-9(8(2)11)10(12-3)13-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8-
InChIKeyKEGAGTUYHHGWSE-JPDBVBESSA-N
MW186.23 g/mol
LogP2.59
Rot. Bonds5

About (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene

(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene (PubChem CID 90274331) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene
PubChem CID90274331
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene
SMILESC=C/C=C\C(=C(/C)F)C(OC)OC
InChIInChI=1S/C10H15FO2/c1-5-6-7-9(8(2)11)10(12-3)13-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8-
InChIKeyKEGAGTUYHHGWSE-JPDBVBESSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(Benzaldehyde diethylacetal)magnesium bromide
CID 12882175
4-(Dimethoxymethyl)phenylmagnesium bromide
CID 11265320
3-(Diethoxymethyl)phenylmagnesium bromide, 1.0 M in THF
CID 71310873
2-(Dimethoxymethyl)cyclohexa-1,3-diene
CID 135045565
(3E,4E,6Z)-7-chloro-3-ethylidene-4-fluoro-6-(methoxymethoxymethyl)nona-1,4,6-triene
CID 89207126
(3Z,5Z)-6-fluoro-5-(methoxymethyl)-2-methylhepta-1,3,5-triene
CID 145639548
(2Z,4Z,7E)-2-chloro-9,9-diethoxy-3-fluoro-6-methylidenenona-2,4,7-triene
CID 146269570
(3Z)-2-fluoro-6,6-dimethoxyhexa-1,3-diene
CID 165032461
(2E,4Z,6E)-2-bromo-5-(diethoxymethyl)-4-fluoronona-2,4,6-triene
CID 178088950
2-(Diethoxymethyl)phenylmagnesium bromide
CID 71310959
(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene
CID 134839729
Lithium;carbon monoxide;chromium;dimethoxymethylbenzene
CID 134876422

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene (CID 90274331) is (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene is C=C/C=C\C(=C(/C)F)C(OC)OC.
What is the InChIKey of (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene?
The InChIKey is KEGAGTUYHHGWSE-JPDBVBESSA-N. The full InChI is InChI=1S/C10H15FO2/c1-5-6-7-9(8(2)11)10(12-3)13-4/h5-7,10H,1H2,2-4H3/b7-6-,9-8-.
What are the key properties of (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene?
(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene has a molecular weight of 186.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene is sourced from PubChem (CID 90274331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).