(4R)-4-ethoxy-2-methylhexan-3-one

C9H18O2 — CID 176614582

IUPAC(4R)-4-ethoxy-2-methylhexan-3-one
SMILESCCO[C@H](CC)C(=O)C(C)C
InChIInChI=1S/C9H18O2/c1-5-8(11-6-2)9(10)7(3)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZLLBHNPIXHFWDI-MRVPVSSYSA-N
MW158.24 g/mol
LogP2.03
Rot. Bonds5

About (4R)-4-ethoxy-2-methylhexan-3-one

(4R)-4-ethoxy-2-methylhexan-3-one (PubChem CID 176614582) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4R)-4-ethoxy-2-methylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-ethoxy-2-methylhexan-3-one
PubChem CID176614582
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4R)-4-ethoxy-2-methylhexan-3-one
SMILESCCO[C@H](CC)C(=O)C(C)C
InChIInChI=1S/C9H18O2/c1-5-8(11-6-2)9(10)7(3)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZLLBHNPIXHFWDI-MRVPVSSYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
2-ethoxybutanoate
CID 21321797
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
1,1-diethoxy-3-ethylheptan-2-one
CID 165358267
3-ethoxy-1-phenylpentan-2-one
CID 116707454
3-ethoxy-1-propoxypentan-2-one
CID 116707576
2,2-diethoxyacetate
CID 22600241
carbonic acid;1,1-diethoxyethane
CID 87827362
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
(4S)-2-methyl-4-pentoxyheptan-3-one
CID 176614689

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethoxy-2-methylhexan-3-one?
The IUPAC name of (4R)-4-ethoxy-2-methylhexan-3-one (CID 176614582) is (4R)-4-ethoxy-2-methylhexan-3-one.
What is the SMILES notation for (4R)-4-ethoxy-2-methylhexan-3-one?
The canonical SMILES for (4R)-4-ethoxy-2-methylhexan-3-one is CCO[C@H](CC)C(=O)C(C)C.
What is the InChIKey of (4R)-4-ethoxy-2-methylhexan-3-one?
The InChIKey is ZLLBHNPIXHFWDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8(11-6-2)9(10)7(3)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (4R)-4-ethoxy-2-methylhexan-3-one?
(4R)-4-ethoxy-2-methylhexan-3-one has a molecular weight of 158.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethoxy-2-methylhexan-3-one is sourced from PubChem (CID 176614582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).