(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene

C15H21NO — CID 88943770

IUPAC(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene
SMILESC=C/C=C(\C)C(=C)/C(C)=C(C)\C(C)=C(/C)N=O
InChIInChI=1S/C15H21NO/c1-8-9-10(2)11(3)12(4)13(5)14(6)15(7)16-17/h8-9H,1,3H2,2,4-7H3/b10-9+,13-12+,15-14+
InChIKeyVEKAEJYXXRSJFY-NTZSSEQASA-N
MW231.34 g/mol
LogP5.07
Rot. Bonds5

About (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene

(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene (PubChem CID 88943770) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene
PubChem CID88943770
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene
SMILESC=C/C=C(\C)C(=C)/C(C)=C(C)\C(C)=C(/C)N=O
InChIInChI=1S/C15H21NO/c1-8-9-10(2)11(3)12(4)13(5)14(6)15(7)16-17/h8-9H,1,3H2,2,4-7H3/b10-9+,13-12+,15-14+
InChIKeyVEKAEJYXXRSJFY-NTZSSEQASA-N
XLogP5.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene with MolForge

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Related Compounds

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ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
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4,5,6,7,8-pentamethylundeca-1,3,5,7,9-pentaene
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(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
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2-methyl-3-nitrosobut-2-ene
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Frequently Asked Questions

What is the IUPAC name of (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene?
The IUPAC name of (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene (CID 88943770) is (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene.
What is the SMILES notation for (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene?
The canonical SMILES for (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene is C=C/C=C(\C)C(=C)/C(C)=C(C)\C(C)=C(/C)N=O.
What is the InChIKey of (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene?
The InChIKey is VEKAEJYXXRSJFY-NTZSSEQASA-N. The full InChI is InChI=1S/C15H21NO/c1-8-9-10(2)11(3)12(4)13(5)14(6)15(7)16-17/h8-9H,1,3H2,2,4-7H3/b10-9+,13-12+,15-14+.
What are the key properties of (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene?
(3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene has a molecular weight of 231.34 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8E)-4,6,7,8-tetramethyl-5-methylidene-9-nitrosodeca-1,3,6,8-tetraene is sourced from PubChem (CID 88943770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).