2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one

C12H24O2 — CID 121013764

IUPAC2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one
SMILESCC(C)CC(=O)C(C(C)C)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-8(2)7-10(13)11(9(3)4)12(5,6)14/h8-9,11,14H,7H2,1-6H3
InChIKeyIPQIAEHRDYXAPJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.64
Rot. Bonds5

About 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one

2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one (PubChem CID 121013764) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one.

Molecular Properties

Compound Name2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one
PubChem CID121013764
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one
SMILESCC(C)CC(=O)C(C(C)C)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-8(2)7-10(13)11(9(3)4)12(5,6)14/h8-9,11,14H,7H2,1-6H3
InChIKeyIPQIAEHRDYXAPJ-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-
CID 77259
2-Hydroxy-2-methyl-4-heptanone
CID 56936212
5-Hydroxy-5-methylheptan-3-one
CID 12525281
5-Hydroxy-2,2,5,6,6-pentamethylheptan-3-one
CID 12253111
5-Hydroxy-2,5,6-trimethylheptan-3-one
CID 4427776
4-Hydroxy-3,4-dimethylhexan-2-one
CID 21299818
2-Hydroxy-2,6-dimethylheptan-4-one
CID 23069927
4-Hydroxy-4,5-dimethylhexan-2-one
CID 23069928
5-Hydroxy-5,6,6-trimethylheptan-3-one
CID 12253110
5-Hydroxy-5,6-dimethylheptan-3-one
CID 134924027
5-Hydroxy-2,2,5,6-tetramethylheptan-3-one
CID 134924643
5-Ethyl-5-hydroxy-2,2,6,6-tetramethylheptan-3-one
CID 134963652

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one?
The IUPAC name of 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one (CID 121013764) is 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one.
What is the SMILES notation for 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one?
The canonical SMILES for 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one is CC(C)CC(=O)C(C(C)C)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one?
The InChIKey is IPQIAEHRDYXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)7-10(13)11(9(3)4)12(5,6)14/h8-9,11,14H,7H2,1-6H3.
What are the key properties of 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one?
2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one has a molecular weight of 200.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,6-dimethyl-3-propan-2-ylheptan-4-one is sourced from PubChem (CID 121013764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).