6-propan-2-ylicos-9-yne

C23H44 — CID 22223793

IUPAC6-propan-2-ylicos-9-yne
SMILESCCCCCCCCCCC#CCCC(CCCCC)C(C)C
InChIInChI=1S/C23H44/c1-5-7-9-10-11-12-13-14-15-16-17-19-21-23(22(3)4)20-18-8-6-2/h22-23H,5-15,18-21H2,1-4H3
InChIKeyMELFECPAIMYYMA-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.15
Rot. Bonds15

About 6-propan-2-ylicos-9-yne

6-propan-2-ylicos-9-yne (PubChem CID 22223793) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 6-propan-2-ylicos-9-yne.

Molecular Properties

Compound Name6-propan-2-ylicos-9-yne
PubChem CID22223793
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name6-propan-2-ylicos-9-yne
SMILESCCCCCCCCCCC#CCCC(CCCCC)C(C)C
InChIInChI=1S/C23H44/c1-5-7-9-10-11-12-13-14-15-16-17-19-21-23(22(3)4)20-18-8-6-2/h22-23H,5-15,18-21H2,1-4H3
InChIKeyMELFECPAIMYYMA-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.15
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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Related Compounds

8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
16-butan-2-ylhexacos-6-yne
CID 22223780
13-butan-2-ylhexacos-8-yne
CID 22224143
4-propan-2-yldecane
CID 15038736
18,21-dimethyloctacos-12-yne
CID 22224150
9-methylhexadec-5-yne
CID 22223866
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
10-methylheptadec-3-yne
CID 22224077
8-propan-2-yl-11-propyloctadecane
CID 123538924

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylicos-9-yne?
The IUPAC name of 6-propan-2-ylicos-9-yne (CID 22223793) is 6-propan-2-ylicos-9-yne.
What is the SMILES notation for 6-propan-2-ylicos-9-yne?
The canonical SMILES for 6-propan-2-ylicos-9-yne is CCCCCCCCCCC#CCCC(CCCCC)C(C)C.
What is the InChIKey of 6-propan-2-ylicos-9-yne?
The InChIKey is MELFECPAIMYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-5-7-9-10-11-12-13-14-15-16-17-19-21-23(22(3)4)20-18-8-6-2/h22-23H,5-15,18-21H2,1-4H3.
What are the key properties of 6-propan-2-ylicos-9-yne?
6-propan-2-ylicos-9-yne has a molecular weight of 320.61 g/mol, XLogP of 8.15, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylicos-9-yne is sourced from PubChem (CID 22223793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).