(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene

C17H28F2 — CID 145143761

IUPAC(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene
SMILESCC/C=C(C)/C(/C=C\CCC)=C(/C(F)F)C(C)CC
InChIInChI=1S/C17H28F2/c1-6-9-10-12-15(14(5)11-7-2)16(17(18)19)13(4)8-3/h10-13,17H,6-9H2,1-5H3/b12-10-,14-11+,16-15+
InChIKeyRIMRZUCZZTYROZ-HOELLYNKSA-N
MW270.41 g/mol
LogP6.31
Rot. Bonds8

About (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene

(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene (PubChem CID 145143761) has the molecular formula C17H28F2 and a molecular weight of 270.41 g/mol. Its IUPAC name is (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene.

Molecular Properties

Compound Name(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene
PubChem CID145143761
Molecular FormulaC17H28F2
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene
SMILESCC/C=C(C)/C(/C=C\CCC)=C(/C(F)F)C(C)CC
InChIInChI=1S/C17H28F2/c1-6-9-10-12-15(14(5)11-7-2)16(17(18)19)13(4)8-3/h10-13,17H,6-9H2,1-5H3/b12-10-,14-11+,16-15+
InChIKeyRIMRZUCZZTYROZ-HOELLYNKSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene with MolForge

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Related Compounds

(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene;2,2-dimethoxypropane;(4-fluorophenyl)-(5-methyloxolan-2-yl)methanone;prop-1-ene
CID 145143760
N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
CID 145143647
(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene
CID 138668482
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3E,5Z)-nona-3,5-dien-4-amine
CID 146251565
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
(3E)-4-methyldeca-3,5-diene
CID 173452678
2-bromooct-4-ene
CID 142101254
4,5-dimethyldeca-3,5-diene
CID 76540100
(Z)-3-fluorooct-4-ene
CID 143337170

Frequently Asked Questions

What is the IUPAC name of (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene?
The IUPAC name of (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene (CID 145143761) is (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene.
What is the SMILES notation for (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene?
The canonical SMILES for (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene is CC/C=C(C)/C(/C=C\CCC)=C(/C(F)F)C(C)CC.
What is the InChIKey of (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene?
The InChIKey is RIMRZUCZZTYROZ-HOELLYNKSA-N. The full InChI is InChI=1S/C17H28F2/c1-6-9-10-12-15(14(5)11-7-2)16(17(18)19)13(4)8-3/h10-13,17H,6-9H2,1-5H3/b12-10-,14-11+,16-15+.
What are the key properties of (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene?
(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene has a molecular weight of 270.41 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene is sourced from PubChem (CID 145143761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).