(3E)-3,7-dimethylocta-3,6-dien-1-yne

C10H14 — CID 22236741

IUPAC(3E)-3,7-dimethylocta-3,6-dien-1-yne
SMILESC#C/C(C)=C/CC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8+
InChIKeyAJUDLCRYEGKSIL-CSKARUKUSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About (3E)-3,7-dimethylocta-3,6-dien-1-yne

(3E)-3,7-dimethylocta-3,6-dien-1-yne (PubChem CID 22236741) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3E)-3,7-dimethylocta-3,6-dien-1-yne.

Molecular Properties

Compound Name(3E)-3,7-dimethylocta-3,6-dien-1-yne
PubChem CID22236741
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3E)-3,7-dimethylocta-3,6-dien-1-yne
SMILESC#C/C(C)=C/CC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8+
InChIKeyAJUDLCRYEGKSIL-CSKARUKUSA-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': '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 (3E)-3,7-dimethylocta-3,6-dien-1-yne?
The IUPAC name of (3E)-3,7-dimethylocta-3,6-dien-1-yne (CID 22236741) is (3E)-3,7-dimethylocta-3,6-dien-1-yne.
What is the SMILES notation for (3E)-3,7-dimethylocta-3,6-dien-1-yne?
The canonical SMILES for (3E)-3,7-dimethylocta-3,6-dien-1-yne is C#C/C(C)=C/CC=C(C)C.
What is the InChIKey of (3E)-3,7-dimethylocta-3,6-dien-1-yne?
The InChIKey is AJUDLCRYEGKSIL-CSKARUKUSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8+.
What are the key properties of (3E)-3,7-dimethylocta-3,6-dien-1-yne?
(3E)-3,7-dimethylocta-3,6-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)-3,7-dimethylocta-3,6-dien-1-yne is sourced from PubChem (CID 22236741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).