(3E,6E)-4,5-dimethylocta-1,3,6-triene

C10H16 — CID 12533133

IUPAC(3E,6E)-4,5-dimethylocta-1,3,6-triene
SMILESC=C/C=C(\C)C(C)/C=C/C
InChIInChI=1S/C10H16/c1-5-7-9(3)10(4)8-6-2/h5-8,10H,1H2,2-4H3/b8-6+,9-7+
InChIKeyDIWUKYRQYHTJTC-CDJQDVQCSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds3

About (3E,6E)-4,5-dimethylocta-1,3,6-triene

(3E,6E)-4,5-dimethylocta-1,3,6-triene (PubChem CID 12533133) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3E,6E)-4,5-dimethylocta-1,3,6-triene.

Molecular Properties

Compound Name(3E,6E)-4,5-dimethylocta-1,3,6-triene
PubChem CID12533133
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3E,6E)-4,5-dimethylocta-1,3,6-triene
SMILESC=C/C=C(\C)C(C)/C=C/C
InChIInChI=1S/C10H16/c1-5-7-9(3)10(4)8-6-2/h5-8,10H,1H2,2-4H3/b8-6+,9-7+
InChIKeyDIWUKYRQYHTJTC-CDJQDVQCSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(5E)-6,7,9,10-tetramethyltrideca-1,5,8,11-tetraene
CID 158643699
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
CID 143969033
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-4,5-dimethylocta-1,3,6-triene?
The IUPAC name of (3E,6E)-4,5-dimethylocta-1,3,6-triene (CID 12533133) is (3E,6E)-4,5-dimethylocta-1,3,6-triene.
What is the SMILES notation for (3E,6E)-4,5-dimethylocta-1,3,6-triene?
The canonical SMILES for (3E,6E)-4,5-dimethylocta-1,3,6-triene is C=C/C=C(\C)C(C)/C=C/C.
What is the InChIKey of (3E,6E)-4,5-dimethylocta-1,3,6-triene?
The InChIKey is DIWUKYRQYHTJTC-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-9(3)10(4)8-6-2/h5-8,10H,1H2,2-4H3/b8-6+,9-7+.
What are the key properties of (3E,6E)-4,5-dimethylocta-1,3,6-triene?
(3E,6E)-4,5-dimethylocta-1,3,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-4,5-dimethylocta-1,3,6-triene is sourced from PubChem (CID 12533133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).