(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane

C9H18O2 — CID 130395083

IUPAC(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane
SMILESCOCC1CO[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C9H18O2/c1-7-4-9(5-10-3)6-11-8(7)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m0/s1
InChIKeyCFJJAQGVFOKCEC-JVIMKECRSA-N
MW158.24 g/mol
LogP1.69
Rot. Bonds2

About (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane

(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane (PubChem CID 130395083) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane.

Molecular Properties

Compound Name(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane
PubChem CID130395083
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane
SMILESCOCC1CO[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C9H18O2/c1-7-4-9(5-10-3)6-11-8(7)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m0/s1
InChIKeyCFJJAQGVFOKCEC-JVIMKECRSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane?
The IUPAC name of (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane (CID 130395083) is (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane.
What is the SMILES notation for (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane?
The canonical SMILES for (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane is COCC1CO[C@@H](C)[C@@H](C)C1.
What is the InChIKey of (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane?
The InChIKey is CFJJAQGVFOKCEC-JVIMKECRSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-4-9(5-10-3)6-11-8(7)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m0/s1.
What are the key properties of (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane?
(2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-(methoxymethyl)-2,3-dimethyloxane is sourced from PubChem (CID 130395083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).