(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol

C11H20O4 — CID 91136410

IUPAC(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol
SMILESCCCC/C=C1/O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-8-10(13)11(14)9(12)7(2)15-8/h6-7,9-14H,3-5H2,1-2H3/b8-6+/t7-,9+,10+,11+/m1/s1
InChIKeyRKSXTBOYSXQEDW-ARGXLCAJSA-N
MW216.28 g/mol
LogP0.56
Rot. Bonds3

About (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol

(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol (PubChem CID 91136410) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol
PubChem CID91136410
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol
SMILESCCCC/C=C1/O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O4/c1-3-4-5-6-8-10(13)11(14)9(12)7(2)15-8/h6-7,9-14H,3-5H2,1-2H3/b8-6+/t7-,9+,10+,11+/m1/s1
InChIKeyRKSXTBOYSXQEDW-ARGXLCAJSA-N
XLogP0.56
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S)-2-[(3E,5S)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]oxane-3,4,5-triol
CID 163104804
3,7-Anhydro-1,2-dideoxygluco-oct-2-enitol
CID 6438548
3,7-Anhydro-1,2-dideoxygalacto-oct-2-enitol
CID 6444122
(2E,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78210126
(2Z,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033224
(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033373
(2E,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033484
(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135045633
(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135045784
Chaunopyran A
CID 139589702
(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-ol
CID 101041665
Diethylideneglucitol
CID 129712310

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol (CID 91136410) is (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol is CCCC/C=C1/O[C@H](C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol?
The InChIKey is RKSXTBOYSXQEDW-ARGXLCAJSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-8-10(13)11(14)9(12)7(2)15-8/h6-7,9-14H,3-5H2,1-2H3/b8-6+/t7-,9+,10+,11+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol?
(2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol has a molecular weight of 216.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6E)-2-methyl-6-pentylideneoxane-3,4,5-triol is sourced from PubChem (CID 91136410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).