10-hydroxyhentriacontan-16-one

C31H62O2 — CID 22561416

IUPAC10-hydroxyhentriacontan-16-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCCCC(O)CCCCCCCCC
InChIInChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3
InChIKeyQFHNVRXMVIWOFO-UHFFFAOYSA-N
MW466.84 g/mol
LogP10.49
Rot. Bonds28

About 10-hydroxyhentriacontan-16-one

10-hydroxyhentriacontan-16-one (PubChem CID 22561416) has the molecular formula C31H62O2 and a molecular weight of 466.84 g/mol. Its IUPAC name is 10-hydroxyhentriacontan-16-one.

Molecular Properties

Compound Name10-hydroxyhentriacontan-16-one
PubChem CID22561416
Molecular FormulaC31H62O2
Molecular Weight466.84 g/mol
Exact Mass466.47
IUPAC Name10-hydroxyhentriacontan-16-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCCCC(O)CCCCCCCCC
InChIInChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3
InChIKeyQFHNVRXMVIWOFO-UHFFFAOYSA-N
XLogP10.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxyhentriacontan-16-one?
The IUPAC name of 10-hydroxyhentriacontan-16-one (CID 22561416) is 10-hydroxyhentriacontan-16-one.
What is the SMILES notation for 10-hydroxyhentriacontan-16-one?
The canonical SMILES for 10-hydroxyhentriacontan-16-one is CCCCCCCCCCCCCCCC(=O)CCCCCC(O)CCCCCCCCC.
What is the InChIKey of 10-hydroxyhentriacontan-16-one?
The InChIKey is QFHNVRXMVIWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3.
What are the key properties of 10-hydroxyhentriacontan-16-one?
10-hydroxyhentriacontan-16-one has a molecular weight of 466.84 g/mol, XLogP of 10.49, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxyhentriacontan-16-one is sourced from PubChem (CID 22561416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).