2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)

C15H32O4 — CID 88779940

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C9H20O4.2C3H6/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3-2/h7-11H,4-6H2,1-3H3;2*3H,1H2,2H3
InChIKeyASNDUVZOIJNAGE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.55
Rot. Bonds7

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) (PubChem CID 88779940) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene).

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
PubChem CID88779940
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C9H20O4.2C3H6/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3-2/h7-11H,4-6H2,1-3H3;2*3H,1H2,2H3
InChIKeyASNDUVZOIJNAGE-UHFFFAOYSA-N
XLogP2.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
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
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-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
CID 162118566
2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
CID 158101930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) (CID 88779940) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene).
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) is C=CC.C=CC.CC(O)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?
The InChIKey is ASNDUVZOIJNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.2C3H6/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-3-2/h7-11H,4-6H2,1-3H3;2*3H,1H2,2H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)?
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) has a molecular weight of 276.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene) is sourced from PubChem (CID 88779940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).