(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane

C15H22O2 — CID 139257658

IUPAC(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
SMILESCCC1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C15H22O2/c1-2-14-9-6-10-15(17-14)12-16-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1
InChIKeyGOBTXAACVGNXEA-LOACHALJSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds5

About (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane

(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane (PubChem CID 139257658) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
PubChem CID139257658
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
SMILESCCC1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C15H22O2/c1-2-14-9-6-10-15(17-14)12-16-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1
InChIKeyGOBTXAACVGNXEA-LOACHALJSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
CID 102315294
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
2-benzyl-5-ethyloxolane
CID 134971012
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane (CID 139257658) is (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane is CCC1CCC[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane?
The InChIKey is GOBTXAACVGNXEA-LOACHALJSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-14-9-6-10-15(17-14)12-16-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14?,15-/m0/s1.
What are the key properties of (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane?
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane has a molecular weight of 234.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 139257658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).