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

C14H18O — CID 56837491

IUPAC(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1CC=C[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C14H18O/c1-2-13-9-6-10-14(15-13)11-12-7-4-3-5-8-12/h3-8,10,13-14H,2,9,11H2,1H3/t13-,14-/m0/s1
InChIKeyASJUKHPSAJIBIA-KBPBESRZSA-N
MW202.30 g/mol
LogP3.35
Rot. Bonds3

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

(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran (PubChem CID 56837491) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
PubChem CID56837491
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1CC=C[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C14H18O/c1-2-13-9-6-10-14(15-13)11-12-7-4-3-5-8-12/h3-8,10,13-14H,2,9,11H2,1H3/t13-,14-/m0/s1
InChIKeyASJUKHPSAJIBIA-KBPBESRZSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
CID 134930571
(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
CID 56837860
2-benzyl-5-ethyloxolane
CID 134971012
[(2R,6R)-2-benzyl-3,6-dihydro-2H-pyran-6-yl]methyl 2,4,6-trimethylbenzenesulfonate
CID 134928860
(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
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
ethane;bis(2-ethyloxirane);3-phenylpropylbenzene
CID 159337252
(2S,6S)-6-ethoxy-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-3,6-dihydro-2H-pyran
CID 101171403
ethyl (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentanoate
CID 11451580
(7R,9S)-8-benzyl-7,9-diethyl-1,4-dioxaspiro[4.5]decane
CID 58916984
(5R)-5-benzyl-4,5-dihydro-1,2-oxazole
CID 125494321

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran (CID 56837491) is (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran is CC[C@H]1CC=C[C@@H](Cc2ccccc2)O1.
What is the InChIKey of (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran?
The InChIKey is ASJUKHPSAJIBIA-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O/c1-2-13-9-6-10-14(15-13)11-12-7-4-3-5-8-12/h3-8,10,13-14H,2,9,11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran?
(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran has a molecular weight of 202.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 56837491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).