(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene

C13H19F — CID 143772459

IUPAC(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
SMILESC=C/C(F)=C\C(=C)/C(C)=C/CC(C)C
InChIInChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+
InChIKeyMHVAIAZCUOQGKH-BLTLMDCKSA-N
MW194.29 g/mol
LogP4.57
Rot. Bonds5

About (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene

(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene (PubChem CID 143772459) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene.

Molecular Properties

Compound Name(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
PubChem CID143772459
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
SMILESC=C/C(F)=C\C(=C)/C(C)=C/CC(C)C
InChIInChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+
InChIKeyMHVAIAZCUOQGKH-BLTLMDCKSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-fluorohepta-4,6-dien-2-ol
CID 123543230
(3E)-6-methylhepta-1,3-dien-3-ol
CID 89230926
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(4E,5Z)-4-ethylidene-5-fluoro-2,8-dimethylnona-2,5-diene
CID 143665023
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772841
[(4E,6E)-7-fluoro-5-phosphanylnona-4,6,8-trienyl]-propan-2-ylphosphane
CID 170213454
(3E,5S,8E)-2,5,9-trimethyl-6,10-dimethylidene-4-propan-2-yldodeca-1,3,8,11-tetraene
CID 144789623
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017
but-1-ene;(4E)-5,6-dimethylhepta-4,6-dien-2-ol
CID 142868240
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?
The IUPAC name of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene (CID 143772459) is (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene.
What is the SMILES notation for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?
The canonical SMILES for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene is C=C/C(F)=C\C(=C)/C(C)=C/CC(C)C.
What is the InChIKey of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?
The InChIKey is MHVAIAZCUOQGKH-BLTLMDCKSA-N. The full InChI is InChI=1S/C13H19F/c1-6-13(14)9-12(5)11(4)8-7-10(2)3/h6,8-10H,1,5,7H2,2-4H3/b11-8+,13-9+.
What are the key properties of (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene?
(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene has a molecular weight of 194.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene is sourced from PubChem (CID 143772459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).