2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)

C14H26O7 — CID 57347913

IUPAC2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.2C4H6O2/c1-5(8)4-9-6(2)3-7;2*1-3(2)4(5)6/h5-8H,3-4H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyRPCHNUWFHHOEQR-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.06
Rot. Bonds6

About 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)

2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid) (PubChem CID 57347913) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
PubChem CID57347913
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.2C4H6O2/c1-5(8)4-9-6(2)3-7;2*1-3(2)4(5)6/h5-8H,3-4H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyRPCHNUWFHHOEQR-UHFFFAOYSA-N
XLogP1.06
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid) (CID 57347913) is 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)?
The InChIKey is RPCHNUWFHHOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C4H6O2/c1-5(8)4-9-6(2)3-7;2*1-3(2)4(5)6/h5-8H,3-4H2,1-2H3;2*1H2,2H3,(H,5,6).
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)?
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid) has a molecular weight of 306.36 g/mol, XLogP of 1.06, 6 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;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 57347913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).