(E)-2,7-dimethyloct-3-en-5-yne

C10H16 — CID 5358333

IUPAC(E)-2,7-dimethyloct-3-en-5-yne
SMILESCC(C)C#C/C=C/C(C)C
InChIInChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5+
InChIKeyFGLNIYXXYPEICN-FNORWQNLSA-N
MW136.24 g/mol
LogP2.86
Rot. Bonds1

About (E)-2,7-dimethyloct-3-en-5-yne

(E)-2,7-dimethyloct-3-en-5-yne (PubChem CID 5358333) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (E)-2,7-dimethyloct-3-en-5-yne.

Molecular Properties

Compound Name(E)-2,7-dimethyloct-3-en-5-yne
PubChem CID5358333
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(E)-2,7-dimethyloct-3-en-5-yne
SMILESCC(C)C#C/C=C/C(C)C
InChIInChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5+
InChIKeyFGLNIYXXYPEICN-FNORWQNLSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,7-dimethyloct-3-en-5-yne?
The IUPAC name of (E)-2,7-dimethyloct-3-en-5-yne (CID 5358333) is (E)-2,7-dimethyloct-3-en-5-yne.
What is the SMILES notation for (E)-2,7-dimethyloct-3-en-5-yne?
The canonical SMILES for (E)-2,7-dimethyloct-3-en-5-yne is CC(C)C#C/C=C/C(C)C.
What is the InChIKey of (E)-2,7-dimethyloct-3-en-5-yne?
The InChIKey is FGLNIYXXYPEICN-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5+.
What are the key properties of (E)-2,7-dimethyloct-3-en-5-yne?
(E)-2,7-dimethyloct-3-en-5-yne has a molecular weight of 136.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,7-dimethyloct-3-en-5-yne is sourced from PubChem (CID 5358333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).