(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one

C24H38O4 — CID 71619110

IUPAC(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one
SMILESC[C@](O)(CCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O
InChIInChI=1S/C24H38O4/c1-23(27,19-24(2)21(25)18-22(26)28-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21,25,27H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1
InChIKeyGFBQUZIAOMGAPQ-YFNKSVMNSA-N
MW390.56 g/mol
LogP4.95
Rot. Bonds13

About (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one

(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one (PubChem CID 71619110) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one
PubChem CID71619110
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one
SMILESC[C@](O)(CCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O
InChIInChI=1S/C24H38O4/c1-23(27,19-24(2)21(25)18-22(26)28-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21,25,27H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1
InChIKeyGFBQUZIAOMGAPQ-YFNKSVMNSA-N
XLogP4.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one with MolForge

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Related Compounds

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2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one (CID 71619110) is (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one is C[C@](O)(CCCCCCCCCCc1ccccc1)C[C@@]1(C)OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one?
The InChIKey is GFBQUZIAOMGAPQ-YFNKSVMNSA-N. The full InChI is InChI=1S/C24H38O4/c1-23(27,19-24(2)21(25)18-22(26)28-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21,25,27H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one?
(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one has a molecular weight of 390.56 g/mol, XLogP of 4.95, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one is sourced from PubChem (CID 71619110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).