(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran

C13H24O4 — CID 23635075

IUPAC(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCOCOC[C@H](C)[C@@H]1OC(C)=C[C@H](OC)[C@H]1C
InChIInChI=1S/C13H24O4/c1-9(7-16-8-14-4)13-11(3)12(15-5)6-10(2)17-13/h6,9,11-13H,7-8H2,1-5H3/t9-,11+,12-,13-/m0/s1
InChIKeyVWOUVMUZSUEIAB-RYDUCSDGSA-N
MW244.33 g/mol
LogP2.20
Rot. Bonds6

About (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran

(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 23635075) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID23635075
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCOCOC[C@H](C)[C@@H]1OC(C)=C[C@H](OC)[C@H]1C
InChIInChI=1S/C13H24O4/c1-9(7-16-8-14-4)13-11(3)12(15-5)6-10(2)17-13/h6,9,11-13H,7-8H2,1-5H3/t9-,11+,12-,13-/m0/s1
InChIKeyVWOUVMUZSUEIAB-RYDUCSDGSA-N
XLogP2.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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1,3-Dimethoxy-5-methylcyclohexene
CID 123659997
(8S)-8-methyl-3,4,4a,5,8,9a-hexahydro-2H-pyrano[2,3-b]oxepine
CID 141781089
1,2,3-Trimethoxy-3-propan-2-yloxy-5-prop-2-enylcyclohexene
CID 145001992
2-Hex-1-enyl-2-methoxy-3-methyloxane
CID 150187464
4-Ethyl-1,3-dimethoxy-6-methylcyclohexene
CID 163495320
2-methoxy-3-[(E)-1-methoxybut-2-enyl]oxane
CID 10241901
(2S,3R,4S,6R)-4-(methoxymethoxy)-3-(methoxymethoxymethyl)-2-[(E)-pent-1-enyl]-6-undecyloxane
CID 11590343

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran (CID 23635075) is (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran is COCOC[C@H](C)[C@@H]1OC(C)=C[C@H](OC)[C@H]1C.
What is the InChIKey of (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is VWOUVMUZSUEIAB-RYDUCSDGSA-N. The full InChI is InChI=1S/C13H24O4/c1-9(7-16-8-14-4)13-11(3)12(15-5)6-10(2)17-13/h6,9,11-13H,7-8H2,1-5H3/t9-,11+,12-,13-/m0/s1.
What are the key properties of (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran?
(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 244.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 23635075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).