6-methyl-5-methylideneoct-1-yne

C10H16 — CID 90931805

IUPAC6-methyl-5-methylideneoct-1-yne
SMILESC#CCCC(=C)C(C)CC
InChIInChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1,9H,4,6-8H2,2-3H3
InChIKeyYFKWQQRGLIFAKI-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds4

About 6-methyl-5-methylideneoct-1-yne

6-methyl-5-methylideneoct-1-yne (PubChem CID 90931805) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6-methyl-5-methylideneoct-1-yne.

Molecular Properties

Compound Name6-methyl-5-methylideneoct-1-yne
PubChem CID90931805
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6-methyl-5-methylideneoct-1-yne
SMILESC#CCCC(=C)C(C)CC
InChIInChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1,9H,4,6-8H2,2-3H3
InChIKeyYFKWQQRGLIFAKI-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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 6-methyl-5-methylideneoct-1-yne?
The IUPAC name of 6-methyl-5-methylideneoct-1-yne (CID 90931805) is 6-methyl-5-methylideneoct-1-yne.
What is the SMILES notation for 6-methyl-5-methylideneoct-1-yne?
The canonical SMILES for 6-methyl-5-methylideneoct-1-yne is C#CCCC(=C)C(C)CC.
What is the InChIKey of 6-methyl-5-methylideneoct-1-yne?
The InChIKey is YFKWQQRGLIFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h1,9H,4,6-8H2,2-3H3.
What are the key properties of 6-methyl-5-methylideneoct-1-yne?
6-methyl-5-methylideneoct-1-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylideneoct-1-yne is sourced from PubChem (CID 90931805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).