3-decan-2-yltetradec-1-yn-1-ol

C24H46O — CID 87312463

IUPAC3-decan-2-yltetradec-1-yn-1-ol
SMILESCCCCCCCCCCCC(C#CO)C(C)CCCCCCCC
InChIInChI=1S/C24H46O/c1-4-6-8-10-12-13-14-16-18-20-24(21-22-25)23(3)19-17-15-11-9-7-5-2/h23-25H,4-20H2,1-3H3
InChIKeyBWQGXMVCLNSIJC-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.24
Rot. Bonds18

About 3-decan-2-yltetradec-1-yn-1-ol

3-decan-2-yltetradec-1-yn-1-ol (PubChem CID 87312463) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 3-decan-2-yltetradec-1-yn-1-ol.

Molecular Properties

Compound Name3-decan-2-yltetradec-1-yn-1-ol
PubChem CID87312463
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name3-decan-2-yltetradec-1-yn-1-ol
SMILESCCCCCCCCCCCC(C#CO)C(C)CCCCCCCC
InChIInChI=1S/C24H46O/c1-4-6-8-10-12-13-14-16-18-20-24(21-22-25)23(3)19-17-15-11-9-7-5-2/h23-25H,4-20H2,1-3H3
InChIKeyBWQGXMVCLNSIJC-UHFFFAOYSA-N
XLogP8.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-decan-2-yltetradec-1-yn-1-ol?
The IUPAC name of 3-decan-2-yltetradec-1-yn-1-ol (CID 87312463) is 3-decan-2-yltetradec-1-yn-1-ol.
What is the SMILES notation for 3-decan-2-yltetradec-1-yn-1-ol?
The canonical SMILES for 3-decan-2-yltetradec-1-yn-1-ol is CCCCCCCCCCCC(C#CO)C(C)CCCCCCCC.
What is the InChIKey of 3-decan-2-yltetradec-1-yn-1-ol?
The InChIKey is BWQGXMVCLNSIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-4-6-8-10-12-13-14-16-18-20-24(21-22-25)23(3)19-17-15-11-9-7-5-2/h23-25H,4-20H2,1-3H3.
What are the key properties of 3-decan-2-yltetradec-1-yn-1-ol?
3-decan-2-yltetradec-1-yn-1-ol has a molecular weight of 350.63 g/mol, XLogP of 8.24, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-2-yltetradec-1-yn-1-ol is sourced from PubChem (CID 87312463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).