2,4-dimethylheptane-2,6-diol

C9H20O2 — CID 53400290

IUPAC2,4-dimethylheptane-2,6-diol
SMILESCC(O)CC(C)CC(C)(C)O
InChIInChI=1S/C9H20O2/c1-7(5-8(2)10)6-9(3,4)11/h7-8,10-11H,5-6H2,1-4H3
InChIKeyVNZDMEBTFUVGHD-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.55
Rot. Bonds4

About 2,4-dimethylheptane-2,6-diol

2,4-dimethylheptane-2,6-diol (PubChem CID 53400290) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,4-dimethylheptane-2,6-diol.

Molecular Properties

Compound Name2,4-dimethylheptane-2,6-diol
PubChem CID53400290
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2,4-dimethylheptane-2,6-diol
SMILESCC(O)CC(C)CC(C)(C)O
InChIInChI=1S/C9H20O2/c1-7(5-8(2)10)6-9(3,4)11/h7-8,10-11H,5-6H2,1-4H3
InChIKeyVNZDMEBTFUVGHD-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpentane-2,4-diol
CID 7870
(4S)-5-amino-2,4-dimethylpentan-2-ol
CID 97010229
5-amino-2,4-dimethylpentan-2-ol
CID 83681746
4-methylheptane-2,4,6-triol
CID 90439710
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
2,4,6,8,10-pentamethylundecan-6-ol
CID 134857682
2,5,5-trimethylhexane-2,4-diol
CID 13378216
4-methyl-5-sulfanylpentan-2-ol
CID 54007604
8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
CID 89292991
tris(pentane-2,4-diol);ruthenium
CID 5231187
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
copper bis(pentane-2,4-diol)
CID 135036707

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylheptane-2,6-diol?
The IUPAC name of 2,4-dimethylheptane-2,6-diol (CID 53400290) is 2,4-dimethylheptane-2,6-diol.
What is the SMILES notation for 2,4-dimethylheptane-2,6-diol?
The canonical SMILES for 2,4-dimethylheptane-2,6-diol is CC(O)CC(C)CC(C)(C)O.
What is the InChIKey of 2,4-dimethylheptane-2,6-diol?
The InChIKey is VNZDMEBTFUVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(5-8(2)10)6-9(3,4)11/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethylheptane-2,6-diol?
2,4-dimethylheptane-2,6-diol has a molecular weight of 160.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylheptane-2,6-diol is sourced from PubChem (CID 53400290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).