About 2-pent-4-enylpropane-1,3-diol
2-pent-4-enylpropane-1,3-diol (PubChem CID 11094751) has the molecular formula C8H16O2
and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-pent-4-enylpropane-1,3-diol.
Molecular Properties
| Compound Name | 2-pent-4-enylpropane-1,3-diol |
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| PubChem CID | 11094751 |
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| Molecular Formula | C8H16O2 |
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| Molecular Weight | 144.21 g/mol |
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| Exact Mass | 144.12 |
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| IUPAC Name | 2-pent-4-enylpropane-1,3-diol |
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| SMILES | C=CCCCC(CO)CO |
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| InChI | InChI=1S/C8H16O2/c1-2-3-4-5-8(6-9)7-10/h2,8-10H,1,3-7H2 |
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| InChIKey | DVRJCMLOAVLPPD-UHFFFAOYSA-N |
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| XLogP | 0.94 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 144.21 |
| LogP ≤ 5 | 0.94 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-pent-4-enylpropane-1,3-diol?
The IUPAC name of 2-pent-4-enylpropane-1,3-diol (CID 11094751) is 2-pent-4-enylpropane-1,3-diol.
What is the SMILES notation for 2-pent-4-enylpropane-1,3-diol?
The canonical SMILES for 2-pent-4-enylpropane-1,3-diol is C=CCCCC(CO)CO.
What is the InChIKey of 2-pent-4-enylpropane-1,3-diol?
The InChIKey is DVRJCMLOAVLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-8(6-9)7-10/h2,8-10H,1,3-7H2.
What are the key properties of 2-pent-4-enylpropane-1,3-diol?
2-pent-4-enylpropane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enylpropane-1,3-diol is sourced from PubChem (CID 11094751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).