(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol

C23H38O5 — CID 100962299

IUPAC(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
SMILESCCCCCCCCCC[C@H]1O[C@@H](OC)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C23H38O5/c1-4-5-6-7-8-9-10-11-12-20-22(21(24)23(26-3)28-20)27-17-18-13-15-19(25-2)16-14-18/h13-16,20-24H,4-12,17H2,1-3H3/t20-,21-,22+,23-/m1/s1
InChIKeyIFHUZMLIEUBRLD-BXXSPATCSA-N
MW394.55 g/mol
LogP4.84
Rot. Bonds14

About (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol

(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol (PubChem CID 100962299) has the molecular formula C23H38O5 and a molecular weight of 394.55 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
PubChem CID100962299
Molecular FormulaC23H38O5
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol
SMILESCCCCCCCCCC[C@H]1O[C@@H](OC)[C@H](O)[C@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C23H38O5/c1-4-5-6-7-8-9-10-11-12-20-22(21(24)23(26-3)28-20)27-17-18-13-15-19(25-2)16-14-18/h13-16,20-24H,4-12,17H2,1-3H3/t20-,21-,22+,23-/m1/s1
InChIKeyIFHUZMLIEUBRLD-BXXSPATCSA-N
XLogP4.84
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol with MolForge

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Related Compounds

[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
(3S,6S)-3-dodecyl-6-methoxy-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptane
CID 102428131
(2R,3R,4R,5R)-5-hexyl-2-methoxy-4-prop-2-ynoxyoxolan-3-ol
CID 10890525
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-4-hydroxy-3-[(2R,3S,4S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-2-yl]oxy-5-methoxyoxolan-2-yl]methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-ol
CID 102415998
[(2R,3R,4S,5R,6S)-2-butyl-4,5-dihydroxy-6-methoxyoxan-3-yl] 4-methoxybenzoate
CID 10882752
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(3S,6S)-5-azido-4-butoxy-6-methoxy-2-[(4-methoxyphenyl)methoxymethyl]oxan-3-ol
CID 173486879
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(2R,3R,4R)-5-methoxy-2-[(4-methoxyphenoxy)methyl]-4-phenylmethoxyoxolan-3-ol
CID 135343842
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol (CID 100962299) is (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol is CCCCCCCCCC[C@H]1O[C@@H](OC)[C@H](O)[C@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol?
The InChIKey is IFHUZMLIEUBRLD-BXXSPATCSA-N. The full InChI is InChI=1S/C23H38O5/c1-4-5-6-7-8-9-10-11-12-20-22(21(24)23(26-3)28-20)27-17-18-13-15-19(25-2)16-14-18/h13-16,20-24H,4-12,17H2,1-3H3/t20-,21-,22+,23-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol?
(2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol has a molecular weight of 394.55 g/mol, XLogP of 4.84, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-decyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-3-ol is sourced from PubChem (CID 100962299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).