1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid

C22H44O10 — CID 87464905

IUPAC1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.COCC(O)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C19H40O8.C3H4O2/c1-14(7-20)23-8-15(2)24-9-16(3)25-10-17(4)26-11-18(5)27-13-19(21)12-22-6;1-2-3(4)5/h14-21H,7-13H2,1-6H3;2H,1H2,(H,4,5)
InChIKeyHBOJUDARJKMBEP-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.27
Rot. Bonds19

About 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid

1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid (PubChem CID 87464905) has the molecular formula C22H44O10 and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid.

Molecular Properties

Compound Name1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid
PubChem CID87464905
Molecular FormulaC22H44O10
Molecular Weight468.58 g/mol
Exact Mass468.29
IUPAC Name1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.COCC(O)COC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C19H40O8.C3H4O2/c1-14(7-20)23-8-15(2)24-9-16(3)25-10-17(4)26-11-18(5)27-13-19(21)12-22-6;1-2-3(4)5/h14-21H,7-13H2,1-6H3;2H,1H2,(H,4,5)
InChIKeyHBOJUDARJKMBEP-UHFFFAOYSA-N
XLogP1.27
TPSA133.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid?
The IUPAC name of 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid (CID 87464905) is 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid.
What is the SMILES notation for 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid?
The canonical SMILES for 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid is C=CC(=O)O.COCC(O)COC(C)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid?
The InChIKey is HBOJUDARJKMBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O8.C3H4O2/c1-14(7-20)23-8-15(2)24-9-16(3)25-10-17(4)26-11-18(5)27-13-19(21)12-22-6;1-2-3(4)5/h14-21H,7-13H2,1-6H3;2H,1H2,(H,4,5).
What are the key properties of 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid?
1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid has a molecular weight of 468.58 g/mol, XLogP of 1.27, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-3-methoxypropan-2-ol;prop-2-enoic acid is sourced from PubChem (CID 87464905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).