(6R)-2,6-dimethyltetracos-2-en-9-yne

C26H48 — CID 134977384

IUPAC(6R)-2,6-dimethyltetracos-2-en-9-yne
SMILESCCCCCCCCCCCCCCC#CCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C26H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h22,26H,5-17,20-21,23-24H2,1-4H3/t26-/m0/s1
InChIKeyFYHVMJZJPYSPRG-SANMLTNESA-N
MW360.67 g/mol
LogP9.24
Rot. Bonds17

About (6R)-2,6-dimethyltetracos-2-en-9-yne

(6R)-2,6-dimethyltetracos-2-en-9-yne (PubChem CID 134977384) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is (6R)-2,6-dimethyltetracos-2-en-9-yne.

Molecular Properties

Compound Name(6R)-2,6-dimethyltetracos-2-en-9-yne
PubChem CID134977384
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name(6R)-2,6-dimethyltetracos-2-en-9-yne
SMILESCCCCCCCCCCCCCCC#CCC[C@H](C)CCC=C(C)C
InChIInChI=1S/C26H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h22,26H,5-17,20-21,23-24H2,1-4H3/t26-/m0/s1
InChIKeyFYHVMJZJPYSPRG-SANMLTNESA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6R)-2,6-dimethyltetracos-2-en-9-yne?
The IUPAC name of (6R)-2,6-dimethyltetracos-2-en-9-yne (CID 134977384) is (6R)-2,6-dimethyltetracos-2-en-9-yne.
What is the SMILES notation for (6R)-2,6-dimethyltetracos-2-en-9-yne?
The canonical SMILES for (6R)-2,6-dimethyltetracos-2-en-9-yne is CCCCCCCCCCCCCCC#CCC[C@H](C)CCC=C(C)C.
What is the InChIKey of (6R)-2,6-dimethyltetracos-2-en-9-yne?
The InChIKey is FYHVMJZJPYSPRG-SANMLTNESA-N. The full InChI is InChI=1S/C26H48/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h22,26H,5-17,20-21,23-24H2,1-4H3/t26-/m0/s1.
What are the key properties of (6R)-2,6-dimethyltetracos-2-en-9-yne?
(6R)-2,6-dimethyltetracos-2-en-9-yne has a molecular weight of 360.67 g/mol, XLogP of 9.24, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dimethyltetracos-2-en-9-yne is sourced from PubChem (CID 134977384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).