(2S)-2-butan-2-yloxy-4-methylpentan-3-one

C10H20O2 — CID 176614687

IUPAC(2S)-2-butan-2-yloxy-4-methylpentan-3-one
SMILESCCC(C)O[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-6-8(4)12-9(5)10(11)7(2)3/h7-9H,6H2,1-5H3/t8?,9-/m0/s1
InChIKeyKPSSTRNWVUSNJJ-GKAPJAKFSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds5

About (2S)-2-butan-2-yloxy-4-methylpentan-3-one

(2S)-2-butan-2-yloxy-4-methylpentan-3-one (PubChem CID 176614687) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-butan-2-yloxy-4-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-butan-2-yloxy-4-methylpentan-3-one
PubChem CID176614687
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S)-2-butan-2-yloxy-4-methylpentan-3-one
SMILESCCC(C)O[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C10H20O2/c1-6-8(4)12-9(5)10(11)7(2)3/h7-9H,6H2,1-5H3/t8?,9-/m0/s1
InChIKeyKPSSTRNWVUSNJJ-GKAPJAKFSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
2-butan-2-yloxy-N-tert-butylpropanamide
CID 134316359
2,3-di(butan-2-yloxy)butanedioic acid
CID 87883512
2-butan-2-yloxybutane;ethanol
CID 88614162
azane;2-butan-2-yloxybutane
CID 87187028
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
2-butan-2-yloxypropyl carbonochloridate
CID 21490170
2-butan-2-yloxybutane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174496086
(4R)-4-ethoxy-2-methylhexan-3-one
CID 176614582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-yloxy-4-methylpentan-3-one?
The IUPAC name of (2S)-2-butan-2-yloxy-4-methylpentan-3-one (CID 176614687) is (2S)-2-butan-2-yloxy-4-methylpentan-3-one.
What is the SMILES notation for (2S)-2-butan-2-yloxy-4-methylpentan-3-one?
The canonical SMILES for (2S)-2-butan-2-yloxy-4-methylpentan-3-one is CCC(C)O[C@@H](C)C(=O)C(C)C.
What is the InChIKey of (2S)-2-butan-2-yloxy-4-methylpentan-3-one?
The InChIKey is KPSSTRNWVUSNJJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-8(4)12-9(5)10(11)7(2)3/h7-9H,6H2,1-5H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-butan-2-yloxy-4-methylpentan-3-one?
(2S)-2-butan-2-yloxy-4-methylpentan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-yloxy-4-methylpentan-3-one is sourced from PubChem (CID 176614687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).