(2R,4S)-4-methyl-2-(2-methylpropyl)oxane

C10H20O — CID 12684606

IUPAC(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
SMILESCC(C)C[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyLETLQGKRPMMKKC-VHSXEESVSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About (2R,4S)-4-methyl-2-(2-methylpropyl)oxane

(2R,4S)-4-methyl-2-(2-methylpropyl)oxane (PubChem CID 12684606) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-(2-methylpropyl)oxane.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
PubChem CID12684606
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
SMILESCC(C)C[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyLETLQGKRPMMKKC-VHSXEESVSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-(2-methylpropyl)oxane?
The IUPAC name of (2R,4S)-4-methyl-2-(2-methylpropyl)oxane (CID 12684606) is (2R,4S)-4-methyl-2-(2-methylpropyl)oxane.
What is the SMILES notation for (2R,4S)-4-methyl-2-(2-methylpropyl)oxane?
The canonical SMILES for (2R,4S)-4-methyl-2-(2-methylpropyl)oxane is CC(C)C[C@@H]1C[C@@H](C)CCO1.
What is the InChIKey of (2R,4S)-4-methyl-2-(2-methylpropyl)oxane?
The InChIKey is LETLQGKRPMMKKC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)6-10-7-9(3)4-5-11-10/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-(2-methylpropyl)oxane?
(2R,4S)-4-methyl-2-(2-methylpropyl)oxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-(2-methylpropyl)oxane is sourced from PubChem (CID 12684606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).