pent-1-en-3-ol

C5H10O — CID 12020

IUPACpent-1-en-3-ol
SMILESC=CC(O)CC
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKeyVHVMXWZXFBOANQ-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds2

About pent-1-en-3-ol

pent-1-en-3-ol (PubChem CID 12020) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is pent-1-en-3-ol.

Molecular Properties

Compound Namepent-1-en-3-ol
PubChem CID12020
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namepent-1-en-3-ol
SMILESC=CC(O)CC
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKeyVHVMXWZXFBOANQ-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pent-1-en-3-ol?
The IUPAC name of pent-1-en-3-ol (CID 12020) is pent-1-en-3-ol.
What is the SMILES notation for pent-1-en-3-ol?
The canonical SMILES for pent-1-en-3-ol is C=CC(O)CC.
What is the InChIKey of pent-1-en-3-ol?
The InChIKey is VHVMXWZXFBOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3.
What are the key properties of pent-1-en-3-ol?
pent-1-en-3-ol has a molecular weight of 86.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-ol is sourced from PubChem (CID 12020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).