4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one

C18H38O2 — CID 146305544

IUPAC4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one
SMILESCC(C)CC(=O)CC(C)C.CC(C)CC(C)CC(C)O
InChIInChI=1S/C9H20O.C9H18O/c1-7(2)5-8(3)6-9(4)10;1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyLPXXUTTYRRZYBK-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.09
Rot. Bonds8

About 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one

4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one (PubChem CID 146305544) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one.

Molecular Properties

Compound Name4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one
PubChem CID146305544
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one
SMILESCC(C)CC(=O)CC(C)C.CC(C)CC(C)CC(C)O
InChIInChI=1S/C9H20O.C9H18O/c1-7(2)5-8(3)6-9(4)10;1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyLPXXUTTYRRZYBK-UHFFFAOYSA-N
XLogP5.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloromethane;2,6-dimethylheptan-4-one
CID 174654113
(2R,10R)-2,4,8,10-tetrahydroxyundecan-6-one
CID 10609736
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
1-hydroxy-2,6-dimethylheptan-4-one
CID 157270370
4-methylpentan-2-ol;4-methylpentan-2-one;molecular hydrogen
CID 158587419
propane;2,4,6-trimethylheptane
CID 165013878
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
methane;(2R)-4-methylpentan-2-ol
CID 159585988
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium
CID 122204638

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one?
The IUPAC name of 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one (CID 146305544) is 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one.
What is the SMILES notation for 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one?
The canonical SMILES for 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one is CC(C)CC(=O)CC(C)C.CC(C)CC(C)CC(C)O.
What is the InChIKey of 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one?
The InChIKey is LPXXUTTYRRZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C9H18O/c1-7(2)5-8(3)6-9(4)10;1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one?
4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one has a molecular weight of 286.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylheptan-2-ol;2,6-dimethylheptan-4-one is sourced from PubChem (CID 146305544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).