5,5-dimethylhexan-2-ol

C8H18O — CID 520545

IUPAC5,5-dimethylhexan-2-ol
SMILESCC(O)CCC(C)(C)C
InChIInChI=1S/C8H18O/c1-7(9)5-6-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyNMSUCVXVCHZTEH-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds2

About 5,5-dimethylhexan-2-ol

5,5-dimethylhexan-2-ol (PubChem CID 520545) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 5,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name5,5-dimethylhexan-2-ol
PubChem CID520545
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name5,5-dimethylhexan-2-ol
SMILESCC(O)CCC(C)(C)C
InChIInChI=1S/C8H18O/c1-7(9)5-6-8(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyNMSUCVXVCHZTEH-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-2-ol?
The IUPAC name of 5,5-dimethylhexan-2-ol (CID 520545) is 5,5-dimethylhexan-2-ol.
What is the SMILES notation for 5,5-dimethylhexan-2-ol?
The canonical SMILES for 5,5-dimethylhexan-2-ol is CC(O)CCC(C)(C)C.
What is the InChIKey of 5,5-dimethylhexan-2-ol?
The InChIKey is NMSUCVXVCHZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(9)5-6-8(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethylhexan-2-ol?
5,5-dimethylhexan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexan-2-ol is sourced from PubChem (CID 520545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).