(2R,3S)-2,3,6-trimethyloxane

C8H16O — CID 142924826

IUPAC(2R,3S)-2,3,6-trimethyloxane
SMILESCC1CC[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H16O/c1-6-4-5-7(2)9-8(6)3/h6-8H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyYBHIOORZAPALRA-YPVSKDHRSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds

About (2R,3S)-2,3,6-trimethyloxane

(2R,3S)-2,3,6-trimethyloxane (PubChem CID 142924826) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2R,3S)-2,3,6-trimethyloxane.

Molecular Properties

Compound Name(2R,3S)-2,3,6-trimethyloxane
PubChem CID142924826
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2R,3S)-2,3,6-trimethyloxane
SMILESCC1CC[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H16O/c1-6-4-5-7(2)9-8(6)3/h6-8H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyYBHIOORZAPALRA-YPVSKDHRSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,5-dimethyloxolane
CID 118613003
3-ethyl-2,6-dimethyloxane
CID 54145589
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
CID 163867395
(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium
CID 142050616
2-(5,6-dimethyloxan-2-yl)ethanol
CID 59772049
(2R,5S)-5-methyloxolan-2-ol
CID 23253384
CID 59968605
CID 59968605
2-chloro-5-methyloxolane
CID 69273626
(2S,5S)-5-methyloxolan-2-amine
CID 166109571
2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,6-trimethyloxane?
The IUPAC name of (2R,3S)-2,3,6-trimethyloxane (CID 142924826) is (2R,3S)-2,3,6-trimethyloxane.
What is the SMILES notation for (2R,3S)-2,3,6-trimethyloxane?
The canonical SMILES for (2R,3S)-2,3,6-trimethyloxane is CC1CC[C@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3S)-2,3,6-trimethyloxane?
The InChIKey is YBHIOORZAPALRA-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-5-7(2)9-8(6)3/h6-8H,4-5H2,1-3H3/t6-,7?,8+/m0/s1.
What are the key properties of (2R,3S)-2,3,6-trimethyloxane?
(2R,3S)-2,3,6-trimethyloxane has a molecular weight of 128.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,6-trimethyloxane is sourced from PubChem (CID 142924826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).