2-methoxy-2,4-dimethylpentane-1,1-diol

C8H18O3 — CID 142039532

IUPAC2-methoxy-2,4-dimethylpentane-1,1-diol
SMILESCOC(C)(CC(C)C)C(O)O
InChIInChI=1S/C8H18O3/c1-6(2)5-8(3,11-4)7(9)10/h6-7,9-10H,5H2,1-4H3
InChIKeyGJOUESGOYPINSZ-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.75
Rot. Bonds4

About 2-methoxy-2,4-dimethylpentane-1,1-diol

2-methoxy-2,4-dimethylpentane-1,1-diol (PubChem CID 142039532) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methoxy-2,4-dimethylpentane-1,1-diol.

Molecular Properties

Compound Name2-methoxy-2,4-dimethylpentane-1,1-diol
PubChem CID142039532
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-methoxy-2,4-dimethylpentane-1,1-diol
SMILESCOC(C)(CC(C)C)C(O)O
InChIInChI=1S/C8H18O3/c1-6(2)5-8(3,11-4)7(9)10/h6-7,9-10H,5H2,1-4H3
InChIKeyGJOUESGOYPINSZ-UHFFFAOYSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-methoxy-2,4-dimethylpentane-1,1-diol 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

3-methoxy-3,5-dimethylhexan-2-ol
CID 151114021
5-methoxy-2-(2-methoxypropan-2-yloxy)-2,3,5,7-tetramethyloctan-4-ol
CID 123584128
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
3-methoxy-3-methylpentan-2-amine
CID 116757359
2,2,4-trimethylpentanethioamide
CID 126620843

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4-dimethylpentane-1,1-diol?
The IUPAC name of 2-methoxy-2,4-dimethylpentane-1,1-diol (CID 142039532) is 2-methoxy-2,4-dimethylpentane-1,1-diol.
What is the SMILES notation for 2-methoxy-2,4-dimethylpentane-1,1-diol?
The canonical SMILES for 2-methoxy-2,4-dimethylpentane-1,1-diol is COC(C)(CC(C)C)C(O)O.
What is the InChIKey of 2-methoxy-2,4-dimethylpentane-1,1-diol?
The InChIKey is GJOUESGOYPINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-6(2)5-8(3,11-4)7(9)10/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 2-methoxy-2,4-dimethylpentane-1,1-diol?
2-methoxy-2,4-dimethylpentane-1,1-diol has a molecular weight of 162.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4-dimethylpentane-1,1-diol is sourced from PubChem (CID 142039532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).