6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol

C25H50O3 — CID 54082063

IUPAC6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol
SMILESCCCCCCCCCCCCCC[C@H]1CO[C@H](C(O)CCCCCOC)C1
InChIInChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-23-21-25(28-22-23)24(26)19-16-14-17-20-27-2/h23-26H,3-22H2,1-2H3/t23-,24?,25+/m1/s1
InChIKeyMNUZBKMQDUXXLF-PPCJQXESSA-N
MW398.67 g/mol
LogP7.05
Rot. Bonds20

About 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol

6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol (PubChem CID 54082063) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol.

Molecular Properties

Compound Name6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol
PubChem CID54082063
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol
SMILESCCCCCCCCCCCCCC[C@H]1CO[C@H](C(O)CCCCCOC)C1
InChIInChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-23-21-25(28-22-23)24(26)19-16-14-17-20-27-2/h23-26H,3-22H2,1-2H3/t23-,24?,25+/m1/s1
InChIKeyMNUZBKMQDUXXLF-PPCJQXESSA-N
XLogP7.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol with MolForge

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Related Compounds

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(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
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2-(1-tetradecoxyicosyl)oxirane
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5-heptyl-2-(methoxymethyl)-1,3-dioxane
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(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
CID 10777626
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-methoxyhexacosane
CID 20780514
1-methoxy-8,14,20-trimethylnonacosane
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1-(oxan-4-yl)undecan-5-ol
CID 114191725

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol?
The IUPAC name of 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol (CID 54082063) is 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol.
What is the SMILES notation for 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol?
The canonical SMILES for 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol is CCCCCCCCCCCCCC[C@H]1CO[C@H](C(O)CCCCCOC)C1.
What is the InChIKey of 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol?
The InChIKey is MNUZBKMQDUXXLF-PPCJQXESSA-N. The full InChI is InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-23-21-25(28-22-23)24(26)19-16-14-17-20-27-2/h23-26H,3-22H2,1-2H3/t23-,24?,25+/m1/s1.
What are the key properties of 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol?
6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol has a molecular weight of 398.67 g/mol, XLogP of 7.05, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol is sourced from PubChem (CID 54082063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).