(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran

C11H18O3 — CID 11241051

IUPAC(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
SMILESC1=C[C@@H](COC2CCCCO2)COC1
InChIInChI=1S/C11H18O3/c1-2-7-13-11(5-1)14-9-10-4-3-6-12-8-10/h3-4,10-11H,1-2,5-9H2/t10-,11?/m1/s1
InChIKeyVWKNPFLFJNYEAJ-NFJWQWPMSA-N
MW198.26 g/mol
LogP1.73
Rot. Bonds3

About (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran

(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 11241051) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
PubChem CID11241051
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
SMILESC1=C[C@@H](COC2CCCCO2)COC1
InChIInChI=1S/C11H18O3/c1-2-7-13-11(5-1)14-9-10-4-3-6-12-8-10/h3-4,10-11H,1-2,5-9H2/t10-,11?/m1/s1
InChIKeyVWKNPFLFJNYEAJ-NFJWQWPMSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.73
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

(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
2-(cyclohex-3-en-1-ylmethoxy)oxane
CID 12025488
2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-(oxetan-3-yloxy)oxane
CID 54083112
(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 44604239
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[(5-bromooxolan-2-yl)methoxy]oxane
CID 11277076
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran (CID 11241051) is (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran is C1=C[C@@H](COC2CCCCO2)COC1.
What is the InChIKey of (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is VWKNPFLFJNYEAJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-7-13-11(5-1)14-9-10-4-3-6-12-8-10/h3-4,10-11H,1-2,5-9H2/t10-,11?/m1/s1.
What are the key properties of (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran?
(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 198.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11241051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).