(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one

C38H76O2 — CID 163085638

IUPAC(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
SMILESCCCCC(=O)CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCC
InChIInChI=1S/C38H76O2/c1-4-6-32-38(40)35-34-36(3)31-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-33-37(39)30-5-2/h36-37,39H,4-35H2,1-3H3/t36-,37-/m1/s1
InChIKeyYCQYWJIKNVININ-FZNHDDJXSA-N
MW565.02 g/mol
LogP13.08
Rot. Bonds34

About (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one

(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one (PubChem CID 163085638) has the molecular formula C38H76O2 and a molecular weight of 565.02 g/mol. Its IUPAC name is (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one.

Molecular Properties

Compound Name(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
PubChem CID163085638
Molecular FormulaC38H76O2
Molecular Weight565.02 g/mol
Exact Mass564.58
IUPAC Name(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
SMILESCCCCC(=O)CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCC
InChIInChI=1S/C38H76O2/c1-4-6-32-38(40)35-34-36(3)31-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-33-37(39)30-5-2/h36-37,39H,4-35H2,1-3H3/t36-,37-/m1/s1
InChIKeyYCQYWJIKNVININ-FZNHDDJXSA-N
XLogP13.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.02
LogP ≤ 513.08
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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Related Compounds

25-hydroxy-33-methylpentatriacontan-6-one
CID 14825159
4-hydroxyheptadecan-7-one
CID 10934542
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
25-hydroxyhexatetracontan-21-one
CID 163029416
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
8-hydroxypentadecanoic acid;11-methylhenicosane
CID 175544525
11-methylnonadecan-7-ol
CID 87923390
1,8-dihydroxyhexacosan-4-one
CID 141328013
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
(3R)-3-hydroxytriacontan-11-one
CID 163074404

Frequently Asked Questions

What is the IUPAC name of (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one?
The IUPAC name of (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one (CID 163085638) is (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one.
What is the SMILES notation for (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one?
The canonical SMILES for (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one is CCCCC(=O)CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCC.
What is the InChIKey of (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one?
The InChIKey is YCQYWJIKNVININ-FZNHDDJXSA-N. The full InChI is InChI=1S/C38H76O2/c1-4-6-32-38(40)35-34-36(3)31-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-33-37(39)30-5-2/h36-37,39H,4-35H2,1-3H3/t36-,37-/m1/s1.
What are the key properties of (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one?
(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one has a molecular weight of 565.02 g/mol, XLogP of 13.08, 34 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one is sourced from PubChem (CID 163085638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).