(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one

C11H20O3 — CID 71123852

IUPAC(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one
SMILESCC(=O)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C11H20O3/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h9,11H,3-8H2,1-2H3/t9-,11?/m0/s1
InChIKeyRVEOUIZZRZOTJV-FTNKSUMCSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one

(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one (PubChem CID 71123852) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one
PubChem CID71123852
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one
SMILESCC(=O)C[C@H](C)COC1CCCCO1
InChIInChI=1S/C11H20O3/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h9,11H,3-8H2,1-2H3/t9-,11?/m0/s1
InChIKeyRVEOUIZZRZOTJV-FTNKSUMCSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one?
The IUPAC name of (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one (CID 71123852) is (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one.
What is the SMILES notation for (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one?
The canonical SMILES for (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one is CC(=O)C[C@H](C)COC1CCCCO1.
What is the InChIKey of (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one?
The InChIKey is RVEOUIZZRZOTJV-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(7-10(2)12)8-14-11-5-3-4-6-13-11/h9,11H,3-8H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one?
(4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-(oxan-2-yloxy)pentan-2-one is sourced from PubChem (CID 71123852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).