10-hydroxy-12-phenyldodec-11-ynal

C18H24O2 — CID 15445350

IUPAC10-hydroxy-12-phenyldodec-11-ynal
SMILESO=CCCCCCCCCC(O)C#Cc1ccccc1
InChIInChI=1S/C18H24O2/c19-16-10-5-3-1-2-4-9-13-18(20)15-14-17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,1-5,9-10,13H2
InChIKeyYMKQPBKQSBTTIN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds9

About 10-hydroxy-12-phenyldodec-11-ynal

10-hydroxy-12-phenyldodec-11-ynal (PubChem CID 15445350) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 10-hydroxy-12-phenyldodec-11-ynal.

Molecular Properties

Compound Name10-hydroxy-12-phenyldodec-11-ynal
PubChem CID15445350
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name10-hydroxy-12-phenyldodec-11-ynal
SMILESO=CCCCCCCCCC(O)C#Cc1ccccc1
InChIInChI=1S/C18H24O2/c19-16-10-5-3-1-2-4-9-13-18(20)15-14-17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,1-5,9-10,13H2
InChIKeyYMKQPBKQSBTTIN-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 10-hydroxy-12-phenyldodec-11-ynal?
The IUPAC name of 10-hydroxy-12-phenyldodec-11-ynal (CID 15445350) is 10-hydroxy-12-phenyldodec-11-ynal.
What is the SMILES notation for 10-hydroxy-12-phenyldodec-11-ynal?
The canonical SMILES for 10-hydroxy-12-phenyldodec-11-ynal is O=CCCCCCCCCC(O)C#Cc1ccccc1.
What is the InChIKey of 10-hydroxy-12-phenyldodec-11-ynal?
The InChIKey is YMKQPBKQSBTTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-16-10-5-3-1-2-4-9-13-18(20)15-14-17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,1-5,9-10,13H2.
What are the key properties of 10-hydroxy-12-phenyldodec-11-ynal?
10-hydroxy-12-phenyldodec-11-ynal has a molecular weight of 272.39 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-12-phenyldodec-11-ynal is sourced from PubChem (CID 15445350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).