but-3-en-1-ol;(E)-pent-3-en-1-ol

C9H18O2 — CID 88803615

IUPACbut-3-en-1-ol;(E)-pent-3-en-1-ol
SMILESC/C=C/CCO.C=CCCO
InChIInChI=1S/C5H10O.C4H8O/c1-2-3-4-5-6;1-2-3-4-5/h2-3,6H,4-5H2,1H3;2,5H,1,3-4H2/b3-2+;
InChIKeyUCWZHBYTEODTIH-SQQVDAMQSA-N
MW158.24 g/mol
LogP1.50
Rot. Bonds4

About but-3-en-1-ol;(E)-pent-3-en-1-ol

but-3-en-1-ol;(E)-pent-3-en-1-ol (PubChem CID 88803615) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is but-3-en-1-ol;(E)-pent-3-en-1-ol.

Molecular Properties

Compound Namebut-3-en-1-ol;(E)-pent-3-en-1-ol
PubChem CID88803615
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namebut-3-en-1-ol;(E)-pent-3-en-1-ol
SMILESC/C=C/CCO.C=CCCO
InChIInChI=1S/C5H10O.C4H8O/c1-2-3-4-5-6;1-2-3-4-5/h2-3,6H,4-5H2,1H3;2,5H,1,3-4H2/b3-2+;
InChIKeyUCWZHBYTEODTIH-SQQVDAMQSA-N
XLogP1.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of but-3-en-1-ol;(E)-pent-3-en-1-ol?
The IUPAC name of but-3-en-1-ol;(E)-pent-3-en-1-ol (CID 88803615) is but-3-en-1-ol;(E)-pent-3-en-1-ol.
What is the SMILES notation for but-3-en-1-ol;(E)-pent-3-en-1-ol?
The canonical SMILES for but-3-en-1-ol;(E)-pent-3-en-1-ol is C/C=C/CCO.C=CCCO.
What is the InChIKey of but-3-en-1-ol;(E)-pent-3-en-1-ol?
The InChIKey is UCWZHBYTEODTIH-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H10O.C4H8O/c1-2-3-4-5-6;1-2-3-4-5/h2-3,6H,4-5H2,1H3;2,5H,1,3-4H2/b3-2+;.
What are the key properties of but-3-en-1-ol;(E)-pent-3-en-1-ol?
but-3-en-1-ol;(E)-pent-3-en-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-1-ol;(E)-pent-3-en-1-ol is sourced from PubChem (CID 88803615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).