(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol

C8H18O7 — CID 141446098

IUPAC(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
SMILESCOCCOC(O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O7/c1-14-2-3-15-8(13)7(12)6(11)5(10)4-9/h5-13H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1
InChIKeyOWLMLQXOVMDJGR-XDTPYFJJSA-N
MW226.22 g/mol
LogP-2.96
Rot. Bonds8

About (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol

(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol (PubChem CID 141446098) has the molecular formula C8H18O7 and a molecular weight of 226.22 g/mol. Its IUPAC name is (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
PubChem CID141446098
Molecular FormulaC8H18O7
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol
SMILESCOCCOC(O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H18O7/c1-14-2-3-15-8(13)7(12)6(11)5(10)4-9/h5-13H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1
InChIKeyOWLMLQXOVMDJGR-XDTPYFJJSA-N
XLogP-2.96
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 5-2.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2R,3S,4R,5R)-1-methoxyhexane-1,2,3,4,5,6-hexol
CID 91131022
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
(2R,3R,4S,5R)-5,6-dimethoxyhexane-1,2,3,4-tetrol
CID 88961080
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4R,5R)-1-[(2S,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl]peroxyhexane-1,2,3,4,5,6-hexol
CID 87324588
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol (CID 141446098) is (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol is COCCOC(O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol?
The InChIKey is OWLMLQXOVMDJGR-XDTPYFJJSA-N. The full InChI is InChI=1S/C8H18O7/c1-14-2-3-15-8(13)7(12)6(11)5(10)4-9/h5-13H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1.
What are the key properties of (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol?
(2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol has a molecular weight of 226.22 g/mol, XLogP of -2.96, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-(2-methoxyethoxy)pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 141446098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).