(2S,3R)-3-methyl-2-propan-2-yloxane

C9H18O — CID 121477247

IUPAC(2S,3R)-3-methyl-2-propan-2-yloxane
SMILESCC(C)[C@@H]1OCCC[C@H]1C
InChIInChI=1S/C9H18O/c1-7(2)9-8(3)5-4-6-10-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyNCUQRIHAJRCKQZ-BDAKNGLRSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (2S,3R)-3-methyl-2-propan-2-yloxane

(2S,3R)-3-methyl-2-propan-2-yloxane (PubChem CID 121477247) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-propan-2-yloxane.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-propan-2-yloxane
PubChem CID121477247
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3R)-3-methyl-2-propan-2-yloxane
SMILESCC(C)[C@@H]1OCCC[C@H]1C
InChIInChI=1S/C9H18O/c1-7(2)9-8(3)5-4-6-10-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyNCUQRIHAJRCKQZ-BDAKNGLRSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
(2S,3R)-2,3-dimethyloxane
CID 121479351
(3R)-2,3,4-trimethyloxepane
CID 144648748
2-(1-methoxyethyl)oxan-3-amine
CID 131076076
1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
CID 115683912
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
CID 98010252
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800070
cyclopentyl-(3-methyloxolan-2-yl)methanol
CID 115840675
(3-methyloxan-2-yl)methyl hypoiodite
CID 145419790
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 111800069
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-propan-2-yloxane?
The IUPAC name of (2S,3R)-3-methyl-2-propan-2-yloxane (CID 121477247) is (2S,3R)-3-methyl-2-propan-2-yloxane.
What is the SMILES notation for (2S,3R)-3-methyl-2-propan-2-yloxane?
The canonical SMILES for (2S,3R)-3-methyl-2-propan-2-yloxane is CC(C)[C@@H]1OCCC[C@H]1C.
What is the InChIKey of (2S,3R)-3-methyl-2-propan-2-yloxane?
The InChIKey is NCUQRIHAJRCKQZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)9-8(3)5-4-6-10-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-propan-2-yloxane?
(2S,3R)-3-methyl-2-propan-2-yloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-propan-2-yloxane is sourced from PubChem (CID 121477247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).