2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol

C12H28O5 — CID 21223163

IUPAC2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol
SMILESCC(O)COC(C)CO.CCC(O)C(C)CO
InChIInChI=1S/C6H14O3.C6H14O2/c1-5(8)4-9-6(2)3-7;1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyPFMKGHGARLMCBD-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.15
Rot. Bonds7

About 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol

2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol (PubChem CID 21223163) has the molecular formula C12H28O5 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol
PubChem CID21223163
Molecular FormulaC12H28O5
Molecular Weight252.35 g/mol
Exact Mass252.19
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol
SMILESCC(O)COC(C)CO.CCC(O)C(C)CO
InChIInChI=1S/C6H14O3.C6H14O2/c1-5(8)4-9-6(2)3-7;1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyPFMKGHGARLMCBD-UHFFFAOYSA-N
XLogP0.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol (CID 21223163) is 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol is CC(O)COC(C)CO.CCC(O)C(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol?
The InChIKey is PFMKGHGARLMCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H14O2/c1-5(8)4-9-6(2)3-7;1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3;5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol?
2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol has a molecular weight of 252.35 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol is sourced from PubChem (CID 21223163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).