1-[(2-methylpropan-2-yl)oxy]nonan-2-ol

C13H28O2 — CID 105084981

IUPAC1-[(2-methylpropan-2-yl)oxy]nonan-2-ol
SMILESCCCCCCCC(O)COC(C)(C)C
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyGFXPZCJGODJZHK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.52
Rot. Bonds8

About 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol

1-[(2-methylpropan-2-yl)oxy]nonan-2-ol (PubChem CID 105084981) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]nonan-2-ol
PubChem CID105084981
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-[(2-methylpropan-2-yl)oxy]nonan-2-ol
SMILESCCCCCCCC(O)COC(C)(C)C
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyGFXPZCJGODJZHK-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.52
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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Related Compounds

1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
CID 107012250
octadecane-8,11-diol
CID 101412726
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol (CID 105084981) is 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol is CCCCCCCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol?
The InChIKey is GFXPZCJGODJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)11-15-13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol?
1-[(2-methylpropan-2-yl)oxy]nonan-2-ol has a molecular weight of 216.36 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]nonan-2-ol is sourced from PubChem (CID 105084981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).