(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane

C9H18O2 — CID 163896846

IUPAC(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane
SMILESCO[C@@H]1CO[C@@H](C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-6-7(2)9(10-4)5-11-8(6)3/h6-9H,5H2,1-4H3/t6?,7-,8-,9+/m0/s1
InChIKeyQGJTYKQZXVIAQG-IZVRKBBXSA-N
MW158.24 g/mol
LogP1.69
Rot. Bonds1

About (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane

(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane (PubChem CID 163896846) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane.

Molecular Properties

Compound Name(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane
PubChem CID163896846
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane
SMILESCO[C@@H]1CO[C@@H](C)C(C)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-6-7(2)9(10-4)5-11-8(6)3/h6-9H,5H2,1-4H3/t6?,7-,8-,9+/m0/s1
InChIKeyQGJTYKQZXVIAQG-IZVRKBBXSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(3R,4R,5R)-2-bromo-4,5-dimethoxy-3-methyloxane
CID 58076552
(3R,4R)-3-methoxy-2,5-dimethyloxan-4-ol
CID 59491822
(3S,3aR,6aS)-3-methoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
CID 90140604
(3R)-3-methoxy-4-methyloxolane
CID 147902074
actinium;(2S)-2-[(3S)-4,5-dimethoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)-3-methyloxan-4-ol
CID 59932094

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane?
The IUPAC name of (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane (CID 163896846) is (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane.
What is the SMILES notation for (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane?
The canonical SMILES for (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane is CO[C@@H]1CO[C@@H](C)C(C)[C@@H]1C.
What is the InChIKey of (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane?
The InChIKey is QGJTYKQZXVIAQG-IZVRKBBXSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-7(2)9(10-4)5-11-8(6)3/h6-9H,5H2,1-4H3/t6?,7-,8-,9+/m0/s1.
What are the key properties of (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane?
(2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane has a molecular weight of 158.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-methoxy-2,3,4-trimethyloxane is sourced from PubChem (CID 163896846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).