4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol

C10H22O3 — CID 143201598

IUPAC4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
SMILESCC(COC(C)(C)C)CC(C)(O)O
InChIInChI=1S/C10H22O3/c1-8(6-10(5,11)12)7-13-9(2,3)4/h8,11-12H,6-7H2,1-5H3
InChIKeyQUQXJGAEZURACX-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.53
Rot. Bonds4

About 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol

4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol (PubChem CID 143201598) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol.

Molecular Properties

Compound Name4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
PubChem CID143201598
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
SMILESCC(COC(C)(C)C)CC(C)(O)O
InChIInChI=1S/C10H22O3/c1-8(6-10(5,11)12)7-13-9(2,3)4/h8,11-12H,6-7H2,1-5H3
InChIKeyQUQXJGAEZURACX-UHFFFAOYSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol?
The IUPAC name of 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol (CID 143201598) is 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol.
What is the SMILES notation for 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol?
The canonical SMILES for 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol is CC(COC(C)(C)C)CC(C)(O)O.
What is the InChIKey of 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol?
The InChIKey is QUQXJGAEZURACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(6-10(5,11)12)7-13-9(2,3)4/h8,11-12H,6-7H2,1-5H3.
What are the key properties of 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol?
4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol has a molecular weight of 190.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol is sourced from PubChem (CID 143201598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).