2,2-bis(but-3-enyl)propane-1,3-diol

C11H20O2 — CID 11735564

IUPAC2,2-bis(but-3-enyl)propane-1,3-diol
SMILESC=CCCC(CO)(CO)CCC=C
InChIInChI=1S/C11H20O2/c1-3-5-7-11(9-12,10-13)8-6-4-2/h3-4,12-13H,1-2,5-10H2
InChIKeyYPVDDVNXGZGRIV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.89
Rot. Bonds8

About 2,2-bis(but-3-enyl)propane-1,3-diol

2,2-bis(but-3-enyl)propane-1,3-diol (PubChem CID 11735564) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-bis(but-3-enyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(but-3-enyl)propane-1,3-diol
PubChem CID11735564
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-bis(but-3-enyl)propane-1,3-diol
SMILESC=CCCC(CO)(CO)CCC=C
InChIInChI=1S/C11H20O2/c1-3-5-7-11(9-12,10-13)8-6-4-2/h3-4,12-13H,1-2,5-10H2
InChIKeyYPVDDVNXGZGRIV-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2-bis(but-3-enyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(but-3-enyl)propane-1,3-diol (CID 11735564) is 2,2-bis(but-3-enyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(but-3-enyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(but-3-enyl)propane-1,3-diol is C=CCCC(CO)(CO)CCC=C.
What is the InChIKey of 2,2-bis(but-3-enyl)propane-1,3-diol?
The InChIKey is YPVDDVNXGZGRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-7-11(9-12,10-13)8-6-4-2/h3-4,12-13H,1-2,5-10H2.
What are the key properties of 2,2-bis(but-3-enyl)propane-1,3-diol?
2,2-bis(but-3-enyl)propane-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(but-3-enyl)propane-1,3-diol is sourced from PubChem (CID 11735564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).