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

C14H18O2 — CID 134930571

IUPAC(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C14H18O2/c1-15-11-14-9-5-8-13(16-14)10-12-6-3-2-4-7-12/h2-7,9,13-14H,8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyACFHDLOMTFJVRO-UONOGXRCSA-N
MW218.30 g/mol
LogP2.59
Rot. Bonds4

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

(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 134930571) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID134930571
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
SMILESCOC[C@H]1C=CC[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C14H18O2/c1-15-11-14-9-5-8-13(16-14)10-12-6-3-2-4-7-12/h2-7,9,13-14H,8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyACFHDLOMTFJVRO-UONOGXRCSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.59
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

(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
CID 56837491
[(2R,6R)-2-benzyl-3,6-dihydro-2H-pyran-6-yl]methyl 2,4,6-trimethylbenzenesulfonate
CID 134928860
(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
CID 56837860
hydroxy-[(7S)-8-[(2R)-6-(methoxymethyl)-3,6-dihydro-2H-pyran-2-yl]-2,7-dimethyloctan-2-yl]-diphenylsilane
CID 70903447
(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11335159
2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 10588392
2-benzyl-5-ethyloxolane
CID 134971012
(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane;ethane;methoxymethane
CID 91448130
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran (CID 134930571) is (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran is COC[C@H]1C=CC[C@@H](Cc2ccccc2)O1.
What is the InChIKey of (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is ACFHDLOMTFJVRO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18O2/c1-15-11-14-9-5-8-13(16-14)10-12-6-3-2-4-7-12/h2-7,9,13-14H,8,10-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran?
(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 218.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134930571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).