(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne

C11H16 — CID 134857609

IUPAC(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne
SMILESCC#C/C(C)=C/C(C)=C/CC
InChIInChI=1S/C11H16/c1-5-7-10(3)9-11(4)8-6-2/h7,9H,5H2,1-4H3/b10-7+,11-9+
InChIKeyJLMVPNQIKAMVMI-PPZOTWNKSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds2

About (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne

(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne (PubChem CID 134857609) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne.

Molecular Properties

Compound Name(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne
PubChem CID134857609
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne
SMILESCC#C/C(C)=C/C(C)=C/CC
InChIInChI=1S/C11H16/c1-5-7-10(3)9-11(4)8-6-2/h7,9H,5H2,1-4H3/b10-7+,11-9+
InChIKeyJLMVPNQIKAMVMI-PPZOTWNKSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Alloocimene, (4E,6Z)-
CID 5371125
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
CID 14656047
(4Z,6e)-2,6-dimethyl-2,4,6-octatriene
CID 5462627

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne?
The IUPAC name of (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne (CID 134857609) is (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne.
What is the SMILES notation for (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne?
The canonical SMILES for (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne is CC#C/C(C)=C/C(C)=C/CC.
What is the InChIKey of (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne?
The InChIKey is JLMVPNQIKAMVMI-PPZOTWNKSA-N. The full InChI is InChI=1S/C11H16/c1-5-7-10(3)9-11(4)8-6-2/h7,9H,5H2,1-4H3/b10-7+,11-9+.
What are the key properties of (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne?
(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne has a molecular weight of 148.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4,6-dimethylnona-4,6-dien-2-yne is sourced from PubChem (CID 134857609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).