31-hydroxyhentriacontanoic acid

C31H62O3 — CID 71339995

IUPAC31-hydroxyhentriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C31H62O3/c32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h32H,1-30H2,(H,33,34)
InChIKeyBSCSQRJIOHAREW-UHFFFAOYSA-N
MW482.83 g/mol
LogP10.38
Rot. Bonds30

About 31-hydroxyhentriacontanoic acid

31-hydroxyhentriacontanoic acid (PubChem CID 71339995) has the molecular formula C31H62O3 and a molecular weight of 482.83 g/mol. Its IUPAC name is 31-hydroxyhentriacontanoic acid.

Molecular Properties

Compound Name31-hydroxyhentriacontanoic acid
PubChem CID71339995
Molecular FormulaC31H62O3
Molecular Weight482.83 g/mol
Exact Mass482.47
IUPAC Name31-hydroxyhentriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C31H62O3/c32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h32H,1-30H2,(H,33,34)
InChIKeyBSCSQRJIOHAREW-UHFFFAOYSA-N
XLogP10.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 510.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945
ethane;6-hydroxyhexanoic acid
CID 87459132
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
lithium;hydride;5-hydroxypentanoic acid
CID 173343870

Frequently Asked Questions

What is the IUPAC name of 31-hydroxyhentriacontanoic acid?
The IUPAC name of 31-hydroxyhentriacontanoic acid (CID 71339995) is 31-hydroxyhentriacontanoic acid.
What is the SMILES notation for 31-hydroxyhentriacontanoic acid?
The canonical SMILES for 31-hydroxyhentriacontanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 31-hydroxyhentriacontanoic acid?
The InChIKey is BSCSQRJIOHAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O3/c32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h32H,1-30H2,(H,33,34).
What are the key properties of 31-hydroxyhentriacontanoic acid?
31-hydroxyhentriacontanoic acid has a molecular weight of 482.83 g/mol, XLogP of 10.38, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 31-hydroxyhentriacontanoic acid is sourced from PubChem (CID 71339995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).