(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane

C10H18O4 — CID 143150254

IUPAC(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane
SMILESC=C1[C@@H](OC)[C@@H](OC)[C@H](OC)O[C@@H]1C
InChIInChI=1S/C10H18O4/c1-6-7(2)14-10(13-5)9(12-4)8(6)11-3/h7-10H,1H2,2-5H3/t7-,8-,9-,10-/m1/s1
InChIKeyHZYSKUZKJPGHOQ-ZYUZMQFOSA-N
MW202.25 g/mol
LogP0.96
Rot. Bonds3

About (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane

(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane (PubChem CID 143150254) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane.

Molecular Properties

Compound Name(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane
PubChem CID143150254
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane
SMILESC=C1[C@@H](OC)[C@@H](OC)[C@H](OC)O[C@@H]1C
InChIInChI=1S/C10H18O4/c1-6-7(2)14-10(13-5)9(12-4)8(6)11-3/h7-10H,1H2,2-5H3/t7-,8-,9-,10-/m1/s1
InChIKeyHZYSKUZKJPGHOQ-ZYUZMQFOSA-N
XLogP0.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-one
CID 70005413
2,3,4,5,6-pentamethoxyoxane
CID 568209
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
formaldehyde;4-hydroxy-3,6-dimethoxy-5-methyloxan-2-olate
CID 91075368
(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
CID 130179044
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
3-methoxy-4,5,6-trimethyloxan-2-ol
CID 58298710
disodium;(2R,3S,4S,5R,6R)-4-hydroxy-3,6-dimethoxy-5-sulfonatooxyoxane-2-carboxylate
CID 102278158

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane?
The IUPAC name of (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane (CID 143150254) is (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane.
What is the SMILES notation for (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane?
The canonical SMILES for (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane is C=C1[C@@H](OC)[C@@H](OC)[C@H](OC)O[C@@H]1C.
What is the InChIKey of (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane?
The InChIKey is HZYSKUZKJPGHOQ-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-7(2)14-10(13-5)9(12-4)8(6)11-3/h7-10H,1H2,2-5H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane?
(2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane has a molecular weight of 202.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-2,3,4-trimethoxy-6-methyl-5-methylideneoxane is sourced from PubChem (CID 143150254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).