2-methoxy-4,4-dimethylpentan-1-ol

C8H18O2 — CID 59351982

IUPAC2-methoxy-4,4-dimethylpentan-1-ol
SMILESCOC(CO)CC(C)(C)C
InChIInChI=1S/C8H18O2/c1-8(2,3)5-7(6-9)10-4/h7,9H,5-6H2,1-4H3
InChIKeyRCGQHCMTOOPEDX-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds3

About 2-methoxy-4,4-dimethylpentan-1-ol

2-methoxy-4,4-dimethylpentan-1-ol (PubChem CID 59351982) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-methoxy-4,4-dimethylpentan-1-ol
PubChem CID59351982
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-methoxy-4,4-dimethylpentan-1-ol
SMILESCOC(CO)CC(C)(C)C
InChIInChI=1S/C8H18O2/c1-8(2,3)5-7(6-9)10-4/h7,9H,5-6H2,1-4H3
InChIKeyRCGQHCMTOOPEDX-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-methoxy-4,4-dimethylpentan-1-ol (CID 59351982) is 2-methoxy-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-methoxy-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-methoxy-4,4-dimethylpentan-1-ol is COC(CO)CC(C)(C)C.
What is the InChIKey of 2-methoxy-4,4-dimethylpentan-1-ol?
The InChIKey is RCGQHCMTOOPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-8(2,3)5-7(6-9)10-4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-4,4-dimethylpentan-1-ol?
2-methoxy-4,4-dimethylpentan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 59351982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).