(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran

C12H22O3 — CID 162417336

IUPAC(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCCCC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-10-7-8-11(14-3)12(15-10)9-13-2/h7-8,10-12H,4-6,9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyYSCWASNMHHEJRD-GRYCIOLGSA-N
MW214.30 g/mol
LogP2.16
Rot. Bonds6

About (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran

(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 162417336) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID162417336
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCCCC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1
InChIInChI=1S/C12H22O3/c1-4-5-6-10-7-8-11(14-3)12(15-10)9-13-2/h7-8,10-12H,4-6,9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyYSCWASNMHHEJRD-GRYCIOLGSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
3-Ethoxycyclohexene
CID 285902
Tert-butyl cyclohex-2-en-1-yl ether
CID 287916
3,3'-Oxydi(cyclohex-1-ene)
CID 12322414
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
3-(Propan-2-yloxy)cyclohexene
CID 230450
[(1S,4S,5S,6S)-4,5,6-triacetyloxycyclohex-2-en-1-yl] acetate
CID 10957980
6-butyl-3,6-dihydro-2H-pyran
CID 12536732
(3RS,6RS)-3,6-Dimethoxy-cyclohexene
CID 12723453
(3R,6S)-3,6-Dimethoxy-cyclohexene
CID 12723454
3,6-Diethoxycyclohexene
CID 13244917
5,6-Dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618970

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran (CID 162417336) is (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran is CCCC[C@@H]1C=C[C@H](OC)[C@@H](COC)O1.
What is the InChIKey of (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is YSCWASNMHHEJRD-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-10-7-8-11(14-3)12(15-10)9-13-2/h7-8,10-12H,4-6,9H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran?
(2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 214.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-butyl-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 162417336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).