6-methylideneundec-4-yne

C12H20 — CID 15584282

IUPAC6-methylideneundec-4-yne
SMILESC=C(C#CCCC)CCCCC
InChIInChI=1S/C12H20/c1-4-6-8-10-12(3)11-9-7-5-2/h3-8,10H2,1-2H3
InChIKeyIIZNDOPRVPNDEF-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds5

About 6-methylideneundec-4-yne

6-methylideneundec-4-yne (PubChem CID 15584282) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 6-methylideneundec-4-yne.

Molecular Properties

Compound Name6-methylideneundec-4-yne
PubChem CID15584282
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name6-methylideneundec-4-yne
SMILESC=C(C#CCCC)CCCCC
InChIInChI=1S/C12H20/c1-4-6-8-10-12(3)11-9-7-5-2/h3-8,10H2,1-2H3
InChIKeyIIZNDOPRVPNDEF-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylideneundec-4-yne?
The IUPAC name of 6-methylideneundec-4-yne (CID 15584282) is 6-methylideneundec-4-yne.
What is the SMILES notation for 6-methylideneundec-4-yne?
The canonical SMILES for 6-methylideneundec-4-yne is C=C(C#CCCC)CCCCC.
What is the InChIKey of 6-methylideneundec-4-yne?
The InChIKey is IIZNDOPRVPNDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-6-8-10-12(3)11-9-7-5-2/h3-8,10H2,1-2H3.
What are the key properties of 6-methylideneundec-4-yne?
6-methylideneundec-4-yne has a molecular weight of 164.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylideneundec-4-yne is sourced from PubChem (CID 15584282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).