2-(prop-2-enoxymethyl)pent-4-en-1-ol

C9H16O2 — CID 18790474

IUPAC2-(prop-2-enoxymethyl)pent-4-en-1-ol
SMILESC=CCOCC(CO)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-9(7-10)8-11-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyQXTRBQLMPVVHFH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds7

About 2-(prop-2-enoxymethyl)pent-4-en-1-ol

2-(prop-2-enoxymethyl)pent-4-en-1-ol (PubChem CID 18790474) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)pent-4-en-1-ol
PubChem CID18790474
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(prop-2-enoxymethyl)pent-4-en-1-ol
SMILESC=CCOCC(CO)CC=C
InChIInChI=1S/C9H16O2/c1-3-5-9(7-10)8-11-6-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyQXTRBQLMPVVHFH-UHFFFAOYSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(prop-2-enoxymethyl)pent-4-en-1-ol?
The IUPAC name of 2-(prop-2-enoxymethyl)pent-4-en-1-ol (CID 18790474) is 2-(prop-2-enoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(prop-2-enoxymethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(prop-2-enoxymethyl)pent-4-en-1-ol is C=CCOCC(CO)CC=C.
What is the InChIKey of 2-(prop-2-enoxymethyl)pent-4-en-1-ol?
The InChIKey is QXTRBQLMPVVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(7-10)8-11-6-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 2-(prop-2-enoxymethyl)pent-4-en-1-ol?
2-(prop-2-enoxymethyl)pent-4-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 18790474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).