(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran

C10H18O2 — CID 134995787

IUPAC(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](C(C)C)O1
InChIInChI=1S/C10H18O2/c1-8(2)10-6-4-5-9(12-10)7-11-3/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyRMYFTOLJPPMMET-ZJUUUORDSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds3

About (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran

(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 134995787) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID134995787
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](C(C)C)O1
InChIInChI=1S/C10H18O2/c1-8(2)10-6-4-5-9(12-10)7-11-3/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyRMYFTOLJPPMMET-ZJUUUORDSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
(3S,6S)-3,6-dimethoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 162982358
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
Isopropyl-5,6-dihydro-2h-pyran
CID 23384838
(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
CID 122471233
6-[2-(1,1-Difluoroethoxy)ethoxy]-1,5-dimethylcyclohexa-1,3-diene
CID 144130385
3,6,6-Trimethyl-5-prop-2-enyl-2,3-dihydropyran
CID 11095002
(2S,5R)-5-but-3-enyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 11469648
(2R,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 45096469
1-(2-Methoxyethoxy)cyclododeca-2,6,10-triene
CID 100981328
(2R,3S,6R)-3-methoxy-2-(methoxymethyl)-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 101357027

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran (CID 134995787) is (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran is COC[C@H]1C=CC[C@@H](C(C)C)O1.
What is the InChIKey of (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is RMYFTOLJPPMMET-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10-6-4-5-9(12-10)7-11-3/h4-5,8-10H,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran?
(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 170.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134995787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).