5-methoxy-2,2-dimethylpentan-1-ol

C8H18O2 — CID 66026499

IUPAC5-methoxy-2,2-dimethylpentan-1-ol
SMILESCOCCCC(C)(C)CO
InChIInChI=1S/C8H18O2/c1-8(2,7-9)5-4-6-10-3/h9H,4-7H2,1-3H3
InChIKeyIQZXWRRZPIOGHS-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds5

About 5-methoxy-2,2-dimethylpentan-1-ol

5-methoxy-2,2-dimethylpentan-1-ol (PubChem CID 66026499) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethylpentan-1-ol
PubChem CID66026499
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name5-methoxy-2,2-dimethylpentan-1-ol
SMILESCOCCCC(C)(C)CO
InChIInChI=1S/C8H18O2/c1-8(2,7-9)5-4-6-10-3/h9H,4-7H2,1-3H3
InChIKeyIQZXWRRZPIOGHS-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-methoxy-2,2-dimethylpentan-1-ol (CID 66026499) is 5-methoxy-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-methoxy-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-methoxy-2,2-dimethylpentan-1-ol is COCCCC(C)(C)CO.
What is the InChIKey of 5-methoxy-2,2-dimethylpentan-1-ol?
The InChIKey is IQZXWRRZPIOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-8(2,7-9)5-4-6-10-3/h9H,4-7H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethylpentan-1-ol?
5-methoxy-2,2-dimethylpentan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 66026499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).