4,4-dimethylhexan-3-ol

C8H18O — CID 519670

IUPAC4,4-dimethylhexan-3-ol
SMILESCCC(O)C(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3
InChIKeyBARKHVPKOOSMNW-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds3

About 4,4-dimethylhexan-3-ol

4,4-dimethylhexan-3-ol (PubChem CID 519670) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 4,4-dimethylhexan-3-ol.

Molecular Properties

Compound Name4,4-dimethylhexan-3-ol
PubChem CID519670
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name4,4-dimethylhexan-3-ol
SMILESCCC(O)C(C)(C)CC
InChIInChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3
InChIKeyBARKHVPKOOSMNW-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4,4-dimethylhexan-3-ol?
The IUPAC name of 4,4-dimethylhexan-3-ol (CID 519670) is 4,4-dimethylhexan-3-ol.
What is the SMILES notation for 4,4-dimethylhexan-3-ol?
The canonical SMILES for 4,4-dimethylhexan-3-ol is CCC(O)C(C)(C)CC.
What is the InChIKey of 4,4-dimethylhexan-3-ol?
The InChIKey is BARKHVPKOOSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethylhexan-3-ol?
4,4-dimethylhexan-3-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhexan-3-ol is sourced from PubChem (CID 519670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).