bis(2-methylprop-1-ene);propane-1,2,3-triol

C11H24O3 — CID 157063374

IUPACbis(2-methylprop-1-ene);propane-1,2,3-triol
SMILESC=C(C)C.C=C(C)C.OCC(O)CO
InChIInChI=1S/2C4H8.C3H8O3/c2*1-4(2)3;4-1-3(6)2-5/h2*1H2,2-3H3;3-6H,1-2H2
InChIKeyABOWECMWQSXDQJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.50
Rot. Bonds2

About bis(2-methylprop-1-ene);propane-1,2,3-triol

bis(2-methylprop-1-ene);propane-1,2,3-triol (PubChem CID 157063374) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);propane-1,2,3-triol.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);propane-1,2,3-triol
PubChem CID157063374
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Namebis(2-methylprop-1-ene);propane-1,2,3-triol
SMILESC=C(C)C.C=C(C)C.OCC(O)CO
InChIInChI=1S/2C4H8.C3H8O3/c2*1-4(2)3;4-1-3(6)2-5/h2*1H2,2-3H3;3-6H,1-2H2
InChIKeyABOWECMWQSXDQJ-UHFFFAOYSA-N
XLogP1.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
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 bis(2-methylprop-1-ene);propane-1,2,3-triol?
The IUPAC name of bis(2-methylprop-1-ene);propane-1,2,3-triol (CID 157063374) is bis(2-methylprop-1-ene);propane-1,2,3-triol.
What is the SMILES notation for bis(2-methylprop-1-ene);propane-1,2,3-triol?
The canonical SMILES for bis(2-methylprop-1-ene);propane-1,2,3-triol is C=C(C)C.C=C(C)C.OCC(O)CO.
What is the InChIKey of bis(2-methylprop-1-ene);propane-1,2,3-triol?
The InChIKey is ABOWECMWQSXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.C3H8O3/c2*1-4(2)3;4-1-3(6)2-5/h2*1H2,2-3H3;3-6H,1-2H2.
What are the key properties of bis(2-methylprop-1-ene);propane-1,2,3-triol?
bis(2-methylprop-1-ene);propane-1,2,3-triol has a molecular weight of 204.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);propane-1,2,3-triol is sourced from PubChem (CID 157063374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).