(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran

C12H22O3 — CID 58819139

IUPAC(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran
SMILESCOC[C@@H]1OC(C)[C@H](COC)C(C)=C1C
InChIInChI=1S/C12H22O3/c1-8-9(2)12(7-14-5)15-10(3)11(8)6-13-4/h10-12H,6-7H2,1-5H3/t10?,11-,12+/m1/s1
InChIKeyKOLRTJZIRSQTSS-SAIIYOCFSA-N
MW214.30 g/mol
LogP2.02
Rot. Bonds4

About (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran

(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran (PubChem CID 58819139) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran
PubChem CID58819139
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran
SMILESCOC[C@@H]1OC(C)[C@H](COC)C(C)=C1C
InChIInChI=1S/C12H22O3/c1-8-9(2)12(7-14-5)15-10(3)11(8)6-13-4/h10-12H,6-7H2,1-5H3/t10?,11-,12+/m1/s1
InChIKeyKOLRTJZIRSQTSS-SAIIYOCFSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran (CID 58819139) is (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran is COC[C@@H]1OC(C)[C@H](COC)C(C)=C1C.
What is the InChIKey of (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran?
The InChIKey is KOLRTJZIRSQTSS-SAIIYOCFSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-9(2)12(7-14-5)15-10(3)11(8)6-13-4/h10-12H,6-7H2,1-5H3/t10?,11-,12+/m1/s1.
What are the key properties of (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran?
(3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran has a molecular weight of 214.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3,6-bis(methoxymethyl)-2,4,5-trimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 58819139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).