(2S,4R)-2-methyl-4-propan-2-yloxane

C9H18O — CID 177186832

IUPAC(2S,4R)-2-methyl-4-propan-2-yloxane
SMILESCC(C)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C9H18O/c1-7(2)9-4-5-10-8(3)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyFIDBWSRMUWQCGP-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (2S,4R)-2-methyl-4-propan-2-yloxane

(2S,4R)-2-methyl-4-propan-2-yloxane (PubChem CID 177186832) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-propan-2-yloxane.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-propan-2-yloxane
PubChem CID177186832
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,4R)-2-methyl-4-propan-2-yloxane
SMILESCC(C)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C9H18O/c1-7(2)9-4-5-10-8(3)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyFIDBWSRMUWQCGP-DTWKUNHWSA-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

(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
2-methyl-N-(3-propan-2-ylcyclohexyl)oxan-4-amine
CID 103910632
4-(1-chloropropyl)-2-methyloxane
CID 79308102
2,2-dimethyl-4-propan-2-yloxane;2,6-dimethyl-4-propan-2-yloxane;methane;2-methyl-4-propan-2-yloxane;4-propan-2-yloxane
CID 162033840
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
2-methyloxetane;propan-2-amine
CID 18626824
(2-methyloxan-4-yl)phosphane
CID 156867096
4-propan-2-yl-2-(trifluoromethyl)oxane
CID 137391799
(4R)-2,4-dimethyloxane
CID 129313541
methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
CID 66290660

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-propan-2-yloxane?
The IUPAC name of (2S,4R)-2-methyl-4-propan-2-yloxane (CID 177186832) is (2S,4R)-2-methyl-4-propan-2-yloxane.
What is the SMILES notation for (2S,4R)-2-methyl-4-propan-2-yloxane?
The canonical SMILES for (2S,4R)-2-methyl-4-propan-2-yloxane is CC(C)[C@@H]1CCO[C@@H](C)C1.
What is the InChIKey of (2S,4R)-2-methyl-4-propan-2-yloxane?
The InChIKey is FIDBWSRMUWQCGP-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)9-4-5-10-8(3)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-propan-2-yloxane?
(2S,4R)-2-methyl-4-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,4R)-2-methyl-4-propan-2-yloxane is sourced from PubChem (CID 177186832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).