(2R,3R)-2,3-dimethyloxane

C7H14O — CID 21679855

IUPAC(2R,3R)-2,3-dimethyloxane
SMILESC[C@@H]1CCCO[C@@H]1C
InChIInChI=1S/C7H14O/c1-6-4-3-5-8-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyCNOREWPIWZJDQN-RNFRBKRXSA-N
MW114.19 g/mol
LogP1.80
Rot. Bonds

About (2R,3R)-2,3-dimethyloxane

(2R,3R)-2,3-dimethyloxane (PubChem CID 21679855) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyloxane.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyloxane
PubChem CID21679855
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2R,3R)-2,3-dimethyloxane
SMILESC[C@@H]1CCCO[C@@H]1C
InChIInChI=1S/C7H14O/c1-6-4-3-5-8-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyCNOREWPIWZJDQN-RNFRBKRXSA-N
XLogP1.80
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity70

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
4-(Bromomethyl)-2-methyloxane
CID 66470864
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
3-(1-Fluoroethyl)oxane
CID 21136565
2,2-Difluoro-3,6-dimethyloxane
CID 57702275
(4S,5R)-2-fluoro-3,4,5,6-tetramethyloxane
CID 58241366
3-Ethyl-2-fluorooxane
CID 58813258
3-Fluoro-2,5-dimethyloxane
CID 59227680
3,3-Difluoro-2,5-dimethyloxane
CID 59227700

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyloxane?
The IUPAC name of (2R,3R)-2,3-dimethyloxane (CID 21679855) is (2R,3R)-2,3-dimethyloxane.
What is the SMILES notation for (2R,3R)-2,3-dimethyloxane?
The canonical SMILES for (2R,3R)-2,3-dimethyloxane is C[C@@H]1CCCO[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyloxane?
The InChIKey is CNOREWPIWZJDQN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O/c1-6-4-3-5-8-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyloxane?
(2R,3R)-2,3-dimethyloxane has a molecular weight of 114.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyloxane is sourced from PubChem (CID 21679855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).