(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol

C38H58O6 — CID 102153010

IUPAC(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol
SMILESCCCc1ccc(OCCCCC[C@@H](O)[C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCCCOc4ccc(CCC)cc4)O3)O2)cc1
InChIInChI=1S/C38H58O6/c1-3-11-29-15-19-31(20-16-29)41-27-9-5-7-13-33(39)35-23-25-37(43-35)38-26-24-36(44-38)34(40)14-8-6-10-28-42-32-21-17-30(12-4-2)18-22-32/h15-22,33-40H,3-14,23-28H2,1-2H3/t33-,34+,35-,36+,37+,38-
InChIKeyIQTDTTLYXVGXBT-SFOFWDEVSA-N
MW610.88 g/mol
LogP7.99
Rot. Bonds21

About (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol

(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol (PubChem CID 102153010) has the molecular formula C38H58O6 and a molecular weight of 610.88 g/mol. Its IUPAC name is (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol
PubChem CID102153010
Molecular FormulaC38H58O6
Molecular Weight610.88 g/mol
Exact Mass610.42
IUPAC Name(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol
SMILESCCCc1ccc(OCCCCC[C@@H](O)[C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCCCOc4ccc(CCC)cc4)O3)O2)cc1
InChIInChI=1S/C38H58O6/c1-3-11-29-15-19-31(20-16-29)41-27-9-5-7-13-33(39)35-23-25-37(43-35)38-26-24-36(44-38)34(40)14-8-6-10-28-42-32-21-17-30(12-4-2)18-22-32/h15-22,33-40H,3-14,23-28H2,1-2H3/t33-,34+,35-,36+,37+,38-
InChIKeyIQTDTTLYXVGXBT-SFOFWDEVSA-N
XLogP7.99
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.88
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol with MolForge

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Related Compounds

(1R)-6-(4-butylphenoxy)-1-[(2S,5R)-5-[(1R)-5-(4-butylphenoxy)-1-hydroxypentyl]oxolan-2-yl]hexan-1-ol
CID 102153015
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
1-nonoxy-4-propylbenzene
CID 118632119
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
4-amino-1-(4-hexoxyphenyl)heptan-3-ol
CID 83932758
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
1-hexoxy-4-pentylbenzene
CID 54277450
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol?
The IUPAC name of (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol (CID 102153010) is (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol?
The canonical SMILES for (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol is CCCc1ccc(OCCCCC[C@@H](O)[C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCCCOc4ccc(CCC)cc4)O3)O2)cc1.
What is the InChIKey of (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol?
The InChIKey is IQTDTTLYXVGXBT-SFOFWDEVSA-N. The full InChI is InChI=1S/C38H58O6/c1-3-11-29-15-19-31(20-16-29)41-27-9-5-7-13-33(39)35-23-25-37(43-35)38-26-24-36(44-38)34(40)14-8-6-10-28-42-32-21-17-30(12-4-2)18-22-32/h15-22,33-40H,3-14,23-28H2,1-2H3/t33-,34+,35-,36+,37+,38-.
What are the key properties of (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol?
(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol has a molecular weight of 610.88 g/mol, XLogP of 7.99, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol is sourced from PubChem (CID 102153010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).