2-[bis(prop-2-enoxy)methyl]butan-1-ol

C11H20O3 — CID 88617177

IUPAC2-[bis(prop-2-enoxy)methyl]butan-1-ol
SMILESC=CCOC(OCC=C)C(CC)CO
InChIInChI=1S/C11H20O3/c1-4-7-13-11(14-8-5-2)10(6-3)9-12/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyJUHVITADUAJLLR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.74
Rot. Bonds9

About 2-[bis(prop-2-enoxy)methyl]butan-1-ol

2-[bis(prop-2-enoxy)methyl]butan-1-ol (PubChem CID 88617177) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[bis(prop-2-enoxy)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[bis(prop-2-enoxy)methyl]butan-1-ol
PubChem CID88617177
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[bis(prop-2-enoxy)methyl]butan-1-ol
SMILESC=CCOC(OCC=C)C(CC)CO
InChIInChI=1S/C11H20O3/c1-4-7-13-11(14-8-5-2)10(6-3)9-12/h4-5,10-12H,1-2,6-9H2,3H3
InChIKeyJUHVITADUAJLLR-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enoxy)methyl]butan-1-ol?
The IUPAC name of 2-[bis(prop-2-enoxy)methyl]butan-1-ol (CID 88617177) is 2-[bis(prop-2-enoxy)methyl]butan-1-ol.
What is the SMILES notation for 2-[bis(prop-2-enoxy)methyl]butan-1-ol?
The canonical SMILES for 2-[bis(prop-2-enoxy)methyl]butan-1-ol is C=CCOC(OCC=C)C(CC)CO.
What is the InChIKey of 2-[bis(prop-2-enoxy)methyl]butan-1-ol?
The InChIKey is JUHVITADUAJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-7-13-11(14-8-5-2)10(6-3)9-12/h4-5,10-12H,1-2,6-9H2,3H3.
What are the key properties of 2-[bis(prop-2-enoxy)methyl]butan-1-ol?
2-[bis(prop-2-enoxy)methyl]butan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enoxy)methyl]butan-1-ol is sourced from PubChem (CID 88617177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).