3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol

C9H20O4 — CID 89015662

IUPAC3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
SMILESCC(C)OCC(O)(CO)C(C)(C)O
InChIInChI=1S/C9H20O4/c1-7(2)13-6-9(12,5-10)8(3,4)11/h7,10-12H,5-6H2,1-4H3
InChIKeyQDHZHWHDWPWJHQ-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.09
Rot. Bonds5

About 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol

3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol (PubChem CID 89015662) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol.

Molecular Properties

Compound Name3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
PubChem CID89015662
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
SMILESCC(C)OCC(O)(CO)C(C)(C)O
InChIInChI=1S/C9H20O4/c1-7(2)13-6-9(12,5-10)8(3,4)11/h7,10-12H,5-6H2,1-4H3
InChIKeyQDHZHWHDWPWJHQ-UHFFFAOYSA-N
XLogP-0.09
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol?
The IUPAC name of 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol (CID 89015662) is 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol.
What is the SMILES notation for 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol?
The canonical SMILES for 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol is CC(C)OCC(O)(CO)C(C)(C)O.
What is the InChIKey of 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol?
The InChIKey is QDHZHWHDWPWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-7(2)13-6-9(12,5-10)8(3,4)11/h7,10-12H,5-6H2,1-4H3.
What are the key properties of 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol?
3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol has a molecular weight of 192.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol is sourced from PubChem (CID 89015662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).