2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate

C13H26O6 — CID 162118566

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
SMILESC=CC(=O)OC.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C9H20O4.C4H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-4(5)6-2/h7-11H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyZHCGBAHPGFWAKO-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.52
Rot. Bonds8

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate (PubChem CID 162118566) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
PubChem CID162118566
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
SMILESC=CC(=O)OC.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C9H20O4.C4H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-4(5)6-2/h7-11H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyZHCGBAHPGFWAKO-UHFFFAOYSA-N
XLogP0.52
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid
CID 172679706
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)
CID 174995631
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
CID 160985965
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate (CID 162118566) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate is C=CC(=O)OC.CC(O)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate?
The InChIKey is ZHCGBAHPGFWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C4H6O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-4(5)6-2/h7-11H,4-6H2,1-3H3;3H,1H2,2H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate?
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate has a molecular weight of 278.34 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate is sourced from PubChem (CID 162118566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).