2-methoxy-3,3-dimethyloctan-2-ol

C11H24O2 — CID 87319821

IUPAC2-methoxy-3,3-dimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(O)OC
InChIInChI=1S/C11H24O2/c1-6-7-8-9-10(2,3)11(4,12)13-5/h12H,6-9H2,1-5H3
InChIKeyYCDAZFADKGTBJY-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.95
Rot. Bonds6

About 2-methoxy-3,3-dimethyloctan-2-ol

2-methoxy-3,3-dimethyloctan-2-ol (PubChem CID 87319821) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyloctan-2-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyloctan-2-ol
PubChem CID87319821
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-methoxy-3,3-dimethyloctan-2-ol
SMILESCCCCCC(C)(C)C(C)(O)OC
InChIInChI=1S/C11H24O2/c1-6-7-8-9-10(2,3)11(4,12)13-5/h12H,6-9H2,1-5H3
InChIKeyYCDAZFADKGTBJY-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyloctan-2-ol?
The IUPAC name of 2-methoxy-3,3-dimethyloctan-2-ol (CID 87319821) is 2-methoxy-3,3-dimethyloctan-2-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyloctan-2-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyloctan-2-ol is CCCCCC(C)(C)C(C)(O)OC.
What is the InChIKey of 2-methoxy-3,3-dimethyloctan-2-ol?
The InChIKey is YCDAZFADKGTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-7-8-9-10(2,3)11(4,12)13-5/h12H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyloctan-2-ol?
2-methoxy-3,3-dimethyloctan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyloctan-2-ol is sourced from PubChem (CID 87319821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).