13-methylidenetricos-11-yne

C24H44 — CID 15584279

IUPAC13-methylidenetricos-11-yne
SMILESC=C(C#CCCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C24H44/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h3-20,22H2,1-2H3
InChIKeyPQOZNDDJVKZOLU-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.61
Rot. Bonds17

About 13-methylidenetricos-11-yne

13-methylidenetricos-11-yne (PubChem CID 15584279) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 13-methylidenetricos-11-yne.

Molecular Properties

Compound Name13-methylidenetricos-11-yne
PubChem CID15584279
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name13-methylidenetricos-11-yne
SMILESC=C(C#CCCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C24H44/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h3-20,22H2,1-2H3
InChIKeyPQOZNDDJVKZOLU-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.61
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 13-methylidenetricos-11-yne?
The IUPAC name of 13-methylidenetricos-11-yne (CID 15584279) is 13-methylidenetricos-11-yne.
What is the SMILES notation for 13-methylidenetricos-11-yne?
The canonical SMILES for 13-methylidenetricos-11-yne is C=C(C#CCCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 13-methylidenetricos-11-yne?
The InChIKey is PQOZNDDJVKZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2/h3-20,22H2,1-2H3.
What are the key properties of 13-methylidenetricos-11-yne?
13-methylidenetricos-11-yne has a molecular weight of 332.62 g/mol, XLogP of 8.61, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylidenetricos-11-yne is sourced from PubChem (CID 15584279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).