2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol

C10H16O2 — CID 101195721

IUPAC2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol
SMILESC=C=CCC(CO)(CO)CC=C
InChIInChI=1S/C10H16O2/c1-3-5-7-10(8-11,9-12)6-4-2/h4-5,11-12H,1-2,6-9H2
InChIKeySGLLUECCPNAJKC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.26
Rot. Bonds6

About 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol

2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol (PubChem CID 101195721) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol.

Molecular Properties

Compound Name2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol
PubChem CID101195721
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol
SMILESC=C=CCC(CO)(CO)CC=C
InChIInChI=1S/C10H16O2/c1-3-5-7-10(8-11,9-12)6-4-2/h4-5,11-12H,1-2,6-9H2
InChIKeySGLLUECCPNAJKC-UHFFFAOYSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.26
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-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol?
The IUPAC name of 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol (CID 101195721) is 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol.
What is the SMILES notation for 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol?
The canonical SMILES for 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol is C=C=CCC(CO)(CO)CC=C.
What is the InChIKey of 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol?
The InChIKey is SGLLUECCPNAJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-7-10(8-11,9-12)6-4-2/h4-5,11-12H,1-2,6-9H2.
What are the key properties of 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol?
2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienyl-2-prop-2-enylpropane-1,3-diol is sourced from PubChem (CID 101195721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).