(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran

C11H20O3 — CID 25192102

IUPAC(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran
SMILESCCC[C@H]1C[C@@H](OCOC)C=C(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-10-7-11(13-8-12-3)6-9(2)14-10/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyGZTHNSUDGPKXDM-QWRGUYRKSA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds5

About (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran

(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran (PubChem CID 25192102) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran
PubChem CID25192102
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran
SMILESCCC[C@H]1C[C@@H](OCOC)C=C(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-10-7-11(13-8-12-3)6-9(2)14-10/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyGZTHNSUDGPKXDM-QWRGUYRKSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran (CID 25192102) is (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran is CCC[C@H]1C[C@@H](OCOC)C=C(C)O1.
What is the InChIKey of (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran?
The InChIKey is GZTHNSUDGPKXDM-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-10-7-11(13-8-12-3)6-9(2)14-10/h6,10-11H,4-5,7-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran?
(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran has a molecular weight of 200.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 25192102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).