2-pent-4-enyloxolan-2-ol

C9H16O2 — CID 84819607

IUPAC2-pent-4-enyloxolan-2-ol
SMILESC=CCCCC1(O)CCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(10)7-5-8-11-9/h2,10H,1,3-8H2
InChIKeyDAXCMBPLIUAYTF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds4

About 2-pent-4-enyloxolan-2-ol

2-pent-4-enyloxolan-2-ol (PubChem CID 84819607) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-pent-4-enyloxolan-2-ol.

Molecular Properties

Compound Name2-pent-4-enyloxolan-2-ol
PubChem CID84819607
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-pent-4-enyloxolan-2-ol
SMILESC=CCCCC1(O)CCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(10)7-5-8-11-9/h2,10H,1,3-8H2
InChIKeyDAXCMBPLIUAYTF-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
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-pent-4-enyloxolan-2-ol?
The IUPAC name of 2-pent-4-enyloxolan-2-ol (CID 84819607) is 2-pent-4-enyloxolan-2-ol.
What is the SMILES notation for 2-pent-4-enyloxolan-2-ol?
The canonical SMILES for 2-pent-4-enyloxolan-2-ol is C=CCCCC1(O)CCCO1.
What is the InChIKey of 2-pent-4-enyloxolan-2-ol?
The InChIKey is DAXCMBPLIUAYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-6-9(10)7-5-8-11-9/h2,10H,1,3-8H2.
What are the key properties of 2-pent-4-enyloxolan-2-ol?
2-pent-4-enyloxolan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyloxolan-2-ol is sourced from PubChem (CID 84819607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).