1,3-bis(2-methylprop-2-enoxy)propan-2-ol

C11H20O3 — CID 23225622

IUPAC1,3-bis(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)COCC(=C)C
InChIInChI=1S/C11H20O3/c1-9(2)5-13-7-11(12)8-14-6-10(3)4/h11-12H,1,3,5-8H2,2,4H3
InChIKeyJLWIXAZGOJDPIE-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds8

About 1,3-bis(2-methylprop-2-enoxy)propan-2-ol

1,3-bis(2-methylprop-2-enoxy)propan-2-ol (PubChem CID 23225622) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,3-bis(2-methylprop-2-enoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2-methylprop-2-enoxy)propan-2-ol
PubChem CID23225622
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1,3-bis(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)COCC(=C)C
InChIInChI=1S/C11H20O3/c1-9(2)5-13-7-11(12)8-14-6-10(3)4/h11-12H,1,3,5-8H2,2,4H3
InChIKeyJLWIXAZGOJDPIE-UHFFFAOYSA-N
XLogP1.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylprop-2-enoxy)propan-2-ol?
The IUPAC name of 1,3-bis(2-methylprop-2-enoxy)propan-2-ol (CID 23225622) is 1,3-bis(2-methylprop-2-enoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(2-methylprop-2-enoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(2-methylprop-2-enoxy)propan-2-ol is C=C(C)COCC(O)COCC(=C)C.
What is the InChIKey of 1,3-bis(2-methylprop-2-enoxy)propan-2-ol?
The InChIKey is JLWIXAZGOJDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)5-13-7-11(12)8-14-6-10(3)4/h11-12H,1,3,5-8H2,2,4H3.
What are the key properties of 1,3-bis(2-methylprop-2-enoxy)propan-2-ol?
1,3-bis(2-methylprop-2-enoxy)propan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylprop-2-enoxy)propan-2-ol is sourced from PubChem (CID 23225622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).