2-methoxy-3,7-dimethyloctan-2-ol

C11H24O2 — CID 175460697

IUPAC2-methoxy-3,7-dimethyloctan-2-ol
SMILESCOC(C)(O)C(C)CCCC(C)C
InChIInChI=1S/C11H24O2/c1-9(2)7-6-8-10(3)11(4,12)13-5/h9-10,12H,6-8H2,1-5H3
InChIKeyAVRFCQOZLGPDJE-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.80
Rot. Bonds6

About 2-methoxy-3,7-dimethyloctan-2-ol

2-methoxy-3,7-dimethyloctan-2-ol (PubChem CID 175460697) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methoxy-3,7-dimethyloctan-2-ol.

Molecular Properties

Compound Name2-methoxy-3,7-dimethyloctan-2-ol
PubChem CID175460697
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-methoxy-3,7-dimethyloctan-2-ol
SMILESCOC(C)(O)C(C)CCCC(C)C
InChIInChI=1S/C11H24O2/c1-9(2)7-6-8-10(3)11(4,12)13-5/h9-10,12H,6-8H2,1-5H3
InChIKeyAVRFCQOZLGPDJE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-3,7-dimethyloctan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,7-dimethyloctan-2-ol?
The IUPAC name of 2-methoxy-3,7-dimethyloctan-2-ol (CID 175460697) is 2-methoxy-3,7-dimethyloctan-2-ol.
What is the SMILES notation for 2-methoxy-3,7-dimethyloctan-2-ol?
The canonical SMILES for 2-methoxy-3,7-dimethyloctan-2-ol is COC(C)(O)C(C)CCCC(C)C.
What is the InChIKey of 2-methoxy-3,7-dimethyloctan-2-ol?
The InChIKey is AVRFCQOZLGPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)7-6-8-10(3)11(4,12)13-5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-3,7-dimethyloctan-2-ol?
2-methoxy-3,7-dimethyloctan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,7-dimethyloctan-2-ol is sourced from PubChem (CID 175460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).