1-methoxy-2-methyl-1-propoxypentane-2,3-diol

C10H22O4 — CID 91462439

IUPAC1-methoxy-2-methyl-1-propoxypentane-2,3-diol
SMILESCCCOC(OC)C(C)(O)C(O)CC
InChIInChI=1S/C10H22O4/c1-5-7-14-9(13-4)10(3,12)8(11)6-2/h8-9,11-12H,5-7H2,1-4H3
InChIKeyCYOAZRMOZRLWQV-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.91
Rot. Bonds7

About 1-methoxy-2-methyl-1-propoxypentane-2,3-diol

1-methoxy-2-methyl-1-propoxypentane-2,3-diol (PubChem CID 91462439) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-methoxy-2-methyl-1-propoxypentane-2,3-diol.

Molecular Properties

Compound Name1-methoxy-2-methyl-1-propoxypentane-2,3-diol
PubChem CID91462439
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-methoxy-2-methyl-1-propoxypentane-2,3-diol
SMILESCCCOC(OC)C(C)(O)C(O)CC
InChIInChI=1S/C10H22O4/c1-5-7-14-9(13-4)10(3,12)8(11)6-2/h8-9,11-12H,5-7H2,1-4H3
InChIKeyCYOAZRMOZRLWQV-UHFFFAOYSA-N
XLogP0.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-methoxy-2-methyl-1-propoxypentane-2,3-diol?
The IUPAC name of 1-methoxy-2-methyl-1-propoxypentane-2,3-diol (CID 91462439) is 1-methoxy-2-methyl-1-propoxypentane-2,3-diol.
What is the SMILES notation for 1-methoxy-2-methyl-1-propoxypentane-2,3-diol?
The canonical SMILES for 1-methoxy-2-methyl-1-propoxypentane-2,3-diol is CCCOC(OC)C(C)(O)C(O)CC.
What is the InChIKey of 1-methoxy-2-methyl-1-propoxypentane-2,3-diol?
The InChIKey is CYOAZRMOZRLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-5-7-14-9(13-4)10(3,12)8(11)6-2/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-1-propoxypentane-2,3-diol?
1-methoxy-2-methyl-1-propoxypentane-2,3-diol has a molecular weight of 206.28 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-1-propoxypentane-2,3-diol is sourced from PubChem (CID 91462439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).