1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C8H18O3 — CID 3084129

IUPAC1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCC(O)COC(C)(C)C
InChIInChI=1S/C8H18O3/c1-8(2,3)11-6-7(9)5-10-4/h7,9H,5-6H2,1-4H3
InChIKeyKCCPBJDUXBCOSN-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds4

About 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 3084129) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID3084129
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCC(O)COC(C)(C)C
InChIInChI=1S/C8H18O3/c1-8(2,3)11-6-7(9)5-10-4/h7,9H,5-6H2,1-4H3
InChIKeyKCCPBJDUXBCOSN-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 3084129) is 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COCC(O)COC(C)(C)C.
What is the InChIKey of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is KCCPBJDUXBCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(2,3)11-6-7(9)5-10-4/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 3084129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).