2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one

C10H20O3 — CID 103446026

IUPAC2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one
SMILESCOC(C)(C)CCC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-9(2,13-5)7-6-8(11)10(3,4)12/h12H,6-7H2,1-5H3
InChIKeyCVPWIVRPSPPVEU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.53
Rot. Bonds5

About 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one

2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one (PubChem CID 103446026) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one
PubChem CID103446026
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one
SMILESCOC(C)(C)CCC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-9(2,13-5)7-6-8(11)10(3,4)12/h12H,6-7H2,1-5H3
InChIKeyCVPWIVRPSPPVEU-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one?
The IUPAC name of 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one (CID 103446026) is 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one.
What is the SMILES notation for 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one?
The canonical SMILES for 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one is COC(C)(C)CCC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one?
The InChIKey is CVPWIVRPSPPVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,13-5)7-6-8(11)10(3,4)12/h12H,6-7H2,1-5H3.
What are the key properties of 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one?
2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one has a molecular weight of 188.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-2,6-dimethylheptan-3-one is sourced from PubChem (CID 103446026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).