(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane

C13H24O3 — CID 134833646

IUPAC(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
SMILESCO[C@@H]1CCC[C@@H](CCC2CCCCO2)O1
InChIInChI=1S/C13H24O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h11-13H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyYCBWPOXZWOPZGC-SPOOISQMSA-N
MW228.33 g/mol
LogP2.88
Rot. Bonds4

About (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane

(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane (PubChem CID 134833646) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane.

Molecular Properties

Compound Name(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
PubChem CID134833646
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
SMILESCO[C@@H]1CCC[C@@H](CCC2CCCCO2)O1
InChIInChI=1S/C13H24O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h11-13H,2-10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyYCBWPOXZWOPZGC-SPOOISQMSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane?
The IUPAC name of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane (CID 134833646) is (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane.
What is the SMILES notation for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane?
The canonical SMILES for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane is CO[C@@H]1CCC[C@@H](CCC2CCCCO2)O1.
What is the InChIKey of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane?
The InChIKey is YCBWPOXZWOPZGC-SPOOISQMSA-N. The full InChI is InChI=1S/C13H24O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h11-13H,2-10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane?
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane has a molecular weight of 228.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane is sourced from PubChem (CID 134833646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).