(E)-5,6-dimethyldec-5-en-1,9-diyne

C12H16 — CID 6103580

IUPAC(E)-5,6-dimethyldec-5-en-1,9-diyne
SMILESC#CCC/C(C)=C(\C)CCC#C
InChIInChI=1S/C12H16/c1-5-7-9-11(3)12(4)10-8-6-2/h1-2H,7-10H2,3-4H3/b12-11+
InChIKeyUKZZHKZYYZCAAI-VAWYXSNFSA-N
MW160.26 g/mol
LogP3.15
Rot. Bonds4

About (E)-5,6-dimethyldec-5-en-1,9-diyne

(E)-5,6-dimethyldec-5-en-1,9-diyne (PubChem CID 6103580) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (E)-5,6-dimethyldec-5-en-1,9-diyne.

Molecular Properties

Compound Name(E)-5,6-dimethyldec-5-en-1,9-diyne
PubChem CID6103580
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(E)-5,6-dimethyldec-5-en-1,9-diyne
SMILESC#CCC/C(C)=C(\C)CCC#C
InChIInChI=1S/C12H16/c1-5-7-9-11(3)12(4)10-8-6-2/h1-2H,7-10H2,3-4H3/b12-11+
InChIKeyUKZZHKZYYZCAAI-VAWYXSNFSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5,6-dimethyldec-5-en-1,9-diyne?
The IUPAC name of (E)-5,6-dimethyldec-5-en-1,9-diyne (CID 6103580) is (E)-5,6-dimethyldec-5-en-1,9-diyne.
What is the SMILES notation for (E)-5,6-dimethyldec-5-en-1,9-diyne?
The canonical SMILES for (E)-5,6-dimethyldec-5-en-1,9-diyne is C#CCC/C(C)=C(\C)CCC#C.
What is the InChIKey of (E)-5,6-dimethyldec-5-en-1,9-diyne?
The InChIKey is UKZZHKZYYZCAAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H16/c1-5-7-9-11(3)12(4)10-8-6-2/h1-2H,7-10H2,3-4H3/b12-11+.
What are the key properties of (E)-5,6-dimethyldec-5-en-1,9-diyne?
(E)-5,6-dimethyldec-5-en-1,9-diyne has a molecular weight of 160.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-dimethyldec-5-en-1,9-diyne is sourced from PubChem (CID 6103580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).