(Z)-4-(oxan-2-yloxy)but-2-en-1-ol

C9H16O3 — CID 10975949

IUPAC(Z)-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESOC/C=C\COC1CCCCO1
InChIInChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9-10H,1,3,5-8H2/b4-2-
InChIKeyXHTUEXKSLOJOOC-RQOWECAXSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds4

About (Z)-4-(oxan-2-yloxy)but-2-en-1-ol

(Z)-4-(oxan-2-yloxy)but-2-en-1-ol (PubChem CID 10975949) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (Z)-4-(oxan-2-yloxy)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(oxan-2-yloxy)but-2-en-1-ol
PubChem CID10975949
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(Z)-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESOC/C=C\COC1CCCCO1
InChIInChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9-10H,1,3,5-8H2/b4-2-
InChIKeyXHTUEXKSLOJOOC-RQOWECAXSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-4-(oxan-2-yloxy)but-2-en-1-ol?
The IUPAC name of (Z)-4-(oxan-2-yloxy)but-2-en-1-ol (CID 10975949) is (Z)-4-(oxan-2-yloxy)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(oxan-2-yloxy)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(oxan-2-yloxy)but-2-en-1-ol is OC/C=C\COC1CCCCO1.
What is the InChIKey of (Z)-4-(oxan-2-yloxy)but-2-en-1-ol?
The InChIKey is XHTUEXKSLOJOOC-RQOWECAXSA-N. The full InChI is InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9-10H,1,3,5-8H2/b4-2-.
What are the key properties of (Z)-4-(oxan-2-yloxy)but-2-en-1-ol?
(Z)-4-(oxan-2-yloxy)but-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxan-2-yloxy)but-2-en-1-ol is sourced from PubChem (CID 10975949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).