(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene

C19H27F — CID 137399887

IUPAC(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene
SMILESC=C/C(=C\C(=C/C)C(C)(C)F)C(=C)/C=C\C(C)=C(C)C
InChIInChI=1S/C19H27F/c1-9-17(13-18(10-2)19(7,8)20)16(6)12-11-15(5)14(3)4/h9-13H,1,6H2,2-5,7-8H3/b12-11-,17-13+,18-10+
InChIKeyDXKOAKWNTOJGOK-SKTBCVQFSA-N
MW274.42 g/mol
LogP6.26
Rot. Bonds6

About (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene

(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene (PubChem CID 137399887) has the molecular formula C19H27F and a molecular weight of 274.42 g/mol. Its IUPAC name is (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene
PubChem CID137399887
Molecular FormulaC19H27F
Molecular Weight274.42 g/mol
Exact Mass274.21
IUPAC Name(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene
SMILESC=C/C(=C\C(=C/C)C(C)(C)F)C(=C)/C=C\C(C)=C(C)C
InChIInChI=1S/C19H27F/c1-9-17(13-18(10-2)19(7,8)20)16(6)12-11-15(5)14(3)4/h9-13H,1,6H2,2-5,7-8H3/b12-11-,17-13+,18-10+
InChIKeyDXKOAKWNTOJGOK-SKTBCVQFSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.42
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene?
The IUPAC name of (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene (CID 137399887) is (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene.
What is the SMILES notation for (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene?
The canonical SMILES for (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene is C=C/C(=C\C(=C/C)C(C)(C)F)C(=C)/C=C\C(C)=C(C)C.
What is the InChIKey of (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene?
The InChIKey is DXKOAKWNTOJGOK-SKTBCVQFSA-N. The full InChI is InChI=1S/C19H27F/c1-9-17(13-18(10-2)19(7,8)20)16(6)12-11-15(5)14(3)4/h9-13H,1,6H2,2-5,7-8H3/b12-11-,17-13+,18-10+.
What are the key properties of (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene?
(4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene has a molecular weight of 274.42 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7E,9E)-7-ethenyl-9-(2-fluoropropan-2-yl)-2,3-dimethyl-6-methylideneundeca-2,4,7,9-tetraene is sourced from PubChem (CID 137399887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).