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

C8H16O — CID 58758243

IUPAC(2S)-2,3,5-trimethyloxane
SMILESCC1CO[C@@H](C)C(C)C1
InChIInChI=1S/C8H16O/c1-6-4-7(2)8(3)9-5-6/h6-8H,4-5H2,1-3H3/t6?,7?,8-/m0/s1
InChIKeyBTOPWLXHISHMIX-RRQHEKLDSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds

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

(2S)-2,3,5-trimethyloxane (PubChem CID 58758243) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2S)-2,3,5-trimethyloxane.

Molecular Properties

Compound Name(2S)-2,3,5-trimethyloxane
PubChem CID58758243
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2S)-2,3,5-trimethyloxane
SMILESCC1CO[C@@H](C)C(C)C1
InChIInChI=1S/C8H16O/c1-6-4-7(2)8(3)9-5-6/h6-8H,4-5H2,1-3H3/t6?,7?,8-/m0/s1
InChIKeyBTOPWLXHISHMIX-RRQHEKLDSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyloxan-3-amine
CID 20600657
(2R,3S,5R)-2,5-dimethyloxan-3-amine
CID 129045857
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
CID 139394309
3,5-dimethyl-2-propyloxane
CID 91467141
4-methyloxolan-2-ol
CID 11007834
2-fluoro-4-methyloxolane
CID 57195800
3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
CID 123954417
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
CID 144941728
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,5-trimethyloxane?
The IUPAC name of (2S)-2,3,5-trimethyloxane (CID 58758243) is (2S)-2,3,5-trimethyloxane.
What is the SMILES notation for (2S)-2,3,5-trimethyloxane?
The canonical SMILES for (2S)-2,3,5-trimethyloxane is CC1CO[C@@H](C)C(C)C1.
What is the InChIKey of (2S)-2,3,5-trimethyloxane?
The InChIKey is BTOPWLXHISHMIX-RRQHEKLDSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-7(2)8(3)9-5-6/h6-8H,4-5H2,1-3H3/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2,3,5-trimethyloxane?
(2S)-2,3,5-trimethyloxane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,5-trimethyloxane is sourced from PubChem (CID 58758243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).