(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol

C10H22O6 — CID 134866111

IUPAC(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol
SMILESCOCO[C@@H]([C@H](C)O)[C@](C)(O)C[C@H](O)CO
InChIInChI=1S/C10H22O6/c1-7(12)9(16-6-15-3)10(2,14)4-8(13)5-11/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9-,10+/m0/s1
InChIKeyWSJSQSYEJZCVAF-AATLWQCWSA-N
MW238.28 g/mol
LogP-1.15
Rot. Bonds8

About (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol

(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol (PubChem CID 134866111) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol.

Molecular Properties

Compound Name(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol
PubChem CID134866111
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol
SMILESCOCO[C@@H]([C@H](C)O)[C@](C)(O)C[C@H](O)CO
InChIInChI=1S/C10H22O6/c1-7(12)9(16-6-15-3)10(2,14)4-8(13)5-11/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9-,10+/m0/s1
InChIKeyWSJSQSYEJZCVAF-AATLWQCWSA-N
XLogP-1.15
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol?
The IUPAC name of (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol (CID 134866111) is (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol.
What is the SMILES notation for (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol?
The canonical SMILES for (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol is COCO[C@@H]([C@H](C)O)[C@](C)(O)C[C@H](O)CO.
What is the InChIKey of (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol?
The InChIKey is WSJSQSYEJZCVAF-AATLWQCWSA-N. The full InChI is InChI=1S/C10H22O6/c1-7(12)9(16-6-15-3)10(2,14)4-8(13)5-11/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol?
(2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol has a molecular weight of 238.28 g/mol, XLogP of -1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S,6S)-5-(methoxymethoxy)-4-methylheptane-1,2,4,6-tetrol is sourced from PubChem (CID 134866111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).