(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne

C10H14 — CID 24970719

IUPAC(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne
SMILESC#C/C(C)=C/C(C)=C/CC
InChIInChI=1S/C10H14/c1-5-7-10(4)8-9(3)6-2/h2,7-8H,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyJQUUIYHPJOGEHY-DGLUDJRXSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne

(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne (PubChem CID 24970719) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne.

Molecular Properties

Compound Name(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne
PubChem CID24970719
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne
SMILESC#C/C(C)=C/C(C)=C/CC
InChIInChI=1S/C10H14/c1-5-7-10(4)8-9(3)6-2/h2,7-8H,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyJQUUIYHPJOGEHY-DGLUDJRXSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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

3,5-dimethylocta-3,5-diene
CID 54471932
(4Z,6Z)-6-methylnona-4,6-dien-1-yne
CID 143682413
(3Z,5Z)-3,5-dimethylocta-3,5-dienal
CID 142133897
2,4-dimethylhepta-2,4-dienamide
CID 90684610
2,3-dichloro-5-methylocta-1,3,5-triene
CID 123372962
3-methylhexa-1,3-dien-1-ol
CID 154284508
(Z)-2-methylpent-2-enenitrile
CID 5352199
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(E)-2,6-dimethyloct-5-en-7-yn-4-one
CID 13317826
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101
4-ethynylhepta-2,4-diene
CID 90938785
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne?
The IUPAC name of (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne (CID 24970719) is (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne.
What is the SMILES notation for (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne?
The canonical SMILES for (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne is C#C/C(C)=C/C(C)=C/CC.
What is the InChIKey of (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne?
The InChIKey is JQUUIYHPJOGEHY-DGLUDJRXSA-N. The full InChI is InChI=1S/C10H14/c1-5-7-10(4)8-9(3)6-2/h2,7-8H,5H2,1,3-4H3/b9-8+,10-7+.
What are the key properties of (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne?
(3E,5E)-3,5-dimethylocta-3,5-dien-1-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-dimethylocta-3,5-dien-1-yne is sourced from PubChem (CID 24970719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).