(4R)-4-methoxypentan-2-one

C6H12O2 — CID 10749159

IUPAC(4R)-4-methoxypentan-2-one
SMILESCO[C@H](C)CC(C)=O
InChIInChI=1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyBNEZGZQZWFYHTI-ZCFIWIBFSA-N
MW116.16 g/mol
LogP1.00
Rot. Bonds3

About (4R)-4-methoxypentan-2-one

(4R)-4-methoxypentan-2-one (PubChem CID 10749159) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (4R)-4-methoxypentan-2-one.

Molecular Properties

Compound Name(4R)-4-methoxypentan-2-one
PubChem CID10749159
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(4R)-4-methoxypentan-2-one
SMILESCO[C@H](C)CC(C)=O
InChIInChI=1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3/t6-/m1/s1
InChIKeyBNEZGZQZWFYHTI-ZCFIWIBFSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-4-oxo-4-[(2S)-4-oxopentan-2-yl]oxybutan-2-yl] (3R)-3-methoxybutanoate
CID 171578964
(3S)-3-methoxybutanoic acid
CID 51374275
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
1-acetyloxyethyl 3-methoxybutanoate
CID 87922228
4-methoxy-3-oxo-2-(2-oxopropyl)pentanoic acid
CID 88614401
N-(2-methoxypropyl)acetamide
CID 90876780
methyl 3-methyl-5-oxohexanoate
CID 13198405
5-chloro-4-methylpentan-2-one
CID 55303169
4-pentoxypentan-2-one
CID 64698356
4-(cyclopropylmethoxy)pentan-2-one
CID 64697956
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873
acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxypentan-2-one?
The IUPAC name of (4R)-4-methoxypentan-2-one (CID 10749159) is (4R)-4-methoxypentan-2-one.
What is the SMILES notation for (4R)-4-methoxypentan-2-one?
The canonical SMILES for (4R)-4-methoxypentan-2-one is CO[C@H](C)CC(C)=O.
What is the InChIKey of (4R)-4-methoxypentan-2-one?
The InChIKey is BNEZGZQZWFYHTI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (4R)-4-methoxypentan-2-one?
(4R)-4-methoxypentan-2-one has a molecular weight of 116.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxypentan-2-one is sourced from PubChem (CID 10749159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).