8-methylnon-4-yne

C10H18 — CID 18676634

IUPAC8-methylnon-4-yne
SMILESCCCC#CCCC(C)C
InChIInChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h10H,4-5,8-9H2,1-3H3
InChIKeyPPAFZGNCAFJAEV-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.23
Rot. Bonds3

About 8-methylnon-4-yne

8-methylnon-4-yne (PubChem CID 18676634) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 8-methylnon-4-yne.

Molecular Properties

Compound Name8-methylnon-4-yne
PubChem CID18676634
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name8-methylnon-4-yne
SMILESCCCC#CCCC(C)C
InChIInChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h10H,4-5,8-9H2,1-3H3
InChIKeyPPAFZGNCAFJAEV-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.23
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 8-methylnon-4-yne?
The IUPAC name of 8-methylnon-4-yne (CID 18676634) is 8-methylnon-4-yne.
What is the SMILES notation for 8-methylnon-4-yne?
The canonical SMILES for 8-methylnon-4-yne is CCCC#CCCC(C)C.
What is the InChIKey of 8-methylnon-4-yne?
The InChIKey is PPAFZGNCAFJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h10H,4-5,8-9H2,1-3H3.
What are the key properties of 8-methylnon-4-yne?
8-methylnon-4-yne has a molecular weight of 138.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-4-yne is sourced from PubChem (CID 18676634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).