(2R,6R)-2-hydroxy-6-methoxyoctan-4-one

C9H18O3 — CID 101412951

IUPAC(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
SMILESCC[C@H](CC(=O)C[C@@H](C)O)OC
InChIInChI=1S/C9H18O3/c1-4-9(12-3)6-8(11)5-7(2)10/h7,9-10H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyDIUNJAQDNGNCAX-VXNVDRBHSA-N
MW174.24 g/mol
LogP1.14
Rot. Bonds6

About (2R,6R)-2-hydroxy-6-methoxyoctan-4-one

(2R,6R)-2-hydroxy-6-methoxyoctan-4-one (PubChem CID 101412951) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,6R)-2-hydroxy-6-methoxyoctan-4-one.

Molecular Properties

Compound Name(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
PubChem CID101412951
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,6R)-2-hydroxy-6-methoxyoctan-4-one
SMILESCC[C@H](CC(=O)C[C@@H](C)O)OC
InChIInChI=1S/C9H18O3/c1-4-9(12-3)6-8(11)5-7(2)10/h7,9-10H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKeyDIUNJAQDNGNCAX-VXNVDRBHSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-oxohexanoic acid
CID 87467117
4-methoxyhexan-2-one;3-methoxypentanoic acid
CID 157200389
3-methoxypentanoic acid;pentanoic acid
CID 174739835
butan-1-ol;3-methoxypentanoic acid
CID 174606123
6-methoxy-2-methyloctan-3-one
CID 168936546
methyl 3-hydroxybutanoate;methyl 3-(3-hydroxybutanoyloxy)pentanoate;methyl 3-hydroxypentanoate
CID 160689312
tris(butan-2-ol);gallane
CID 175569742
1,4-dimethoxyheptan-2-one
CID 175419718
5-hydroxy-6-methoxyheptan-3-one
CID 22372350
1-(3,5-dimethoxyphenyl)-4-hydroxypentan-2-one
CID 24972545
3-methoxypentanoic acid;styrene
CID 174406567
(E)-5-methoxy-2-methylhept-2-enoic acid
CID 87143221

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-hydroxy-6-methoxyoctan-4-one?
The IUPAC name of (2R,6R)-2-hydroxy-6-methoxyoctan-4-one (CID 101412951) is (2R,6R)-2-hydroxy-6-methoxyoctan-4-one.
What is the SMILES notation for (2R,6R)-2-hydroxy-6-methoxyoctan-4-one?
The canonical SMILES for (2R,6R)-2-hydroxy-6-methoxyoctan-4-one is CC[C@H](CC(=O)C[C@@H](C)O)OC.
What is the InChIKey of (2R,6R)-2-hydroxy-6-methoxyoctan-4-one?
The InChIKey is DIUNJAQDNGNCAX-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-9(12-3)6-8(11)5-7(2)10/h7,9-10H,4-6H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (2R,6R)-2-hydroxy-6-methoxyoctan-4-one?
(2R,6R)-2-hydroxy-6-methoxyoctan-4-one has a molecular weight of 174.24 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-hydroxy-6-methoxyoctan-4-one is sourced from PubChem (CID 101412951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).