2-hexyl-10-hydroxydecanal

C16H32O2 — CID 57033891

IUPAC2-hexyl-10-hydroxydecanal
SMILESCCCCCCC(C=O)CCCCCCCCO
InChIInChI=1S/C16H32O2/c1-2-3-4-9-12-16(15-18)13-10-7-5-6-8-11-14-17/h15-17H,2-14H2,1H3
InChIKeyWXBKFCLDOVWEFD-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.49
Rot. Bonds14

About 2-hexyl-10-hydroxydecanal

2-hexyl-10-hydroxydecanal (PubChem CID 57033891) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-hexyl-10-hydroxydecanal.

Molecular Properties

Compound Name2-hexyl-10-hydroxydecanal
PubChem CID57033891
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-hexyl-10-hydroxydecanal
SMILESCCCCCCC(C=O)CCCCCCCCO
InChIInChI=1S/C16H32O2/c1-2-3-4-9-12-16(15-18)13-10-7-5-6-8-11-14-17/h15-17H,2-14H2,1H3
InChIKeyWXBKFCLDOVWEFD-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-10-hydroxydecanal?
The IUPAC name of 2-hexyl-10-hydroxydecanal (CID 57033891) is 2-hexyl-10-hydroxydecanal.
What is the SMILES notation for 2-hexyl-10-hydroxydecanal?
The canonical SMILES for 2-hexyl-10-hydroxydecanal is CCCCCCC(C=O)CCCCCCCCO.
What is the InChIKey of 2-hexyl-10-hydroxydecanal?
The InChIKey is WXBKFCLDOVWEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-9-12-16(15-18)13-10-7-5-6-8-11-14-17/h15-17H,2-14H2,1H3.
What are the key properties of 2-hexyl-10-hydroxydecanal?
2-hexyl-10-hydroxydecanal has a molecular weight of 256.43 g/mol, XLogP of 4.49, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-10-hydroxydecanal is sourced from PubChem (CID 57033891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).