1,5-bis(oxiran-2-yl)pentan-3-ol

C9H16O3 — CID 20657102

IUPAC1,5-bis(oxiran-2-yl)pentan-3-ol
SMILESOC(CCC1CO1)CCC1CO1
InChIInChI=1S/C9H16O3/c10-7(1-3-8-5-11-8)2-4-9-6-12-9/h7-10H,1-6H2
InChIKeyMWRLBIGNEFREPZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.71
Rot. Bonds6

About 1,5-bis(oxiran-2-yl)pentan-3-ol

1,5-bis(oxiran-2-yl)pentan-3-ol (PubChem CID 20657102) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,5-bis(oxiran-2-yl)pentan-3-ol.

Molecular Properties

Compound Name1,5-bis(oxiran-2-yl)pentan-3-ol
PubChem CID20657102
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,5-bis(oxiran-2-yl)pentan-3-ol
SMILESOC(CCC1CO1)CCC1CO1
InChIInChI=1S/C9H16O3/c10-7(1-3-8-5-11-8)2-4-9-6-12-9/h7-10H,1-6H2
InChIKeyMWRLBIGNEFREPZ-UHFFFAOYSA-N
XLogP0.71
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(oxiran-2-yl)pentan-3-ol?
The IUPAC name of 1,5-bis(oxiran-2-yl)pentan-3-ol (CID 20657102) is 1,5-bis(oxiran-2-yl)pentan-3-ol.
What is the SMILES notation for 1,5-bis(oxiran-2-yl)pentan-3-ol?
The canonical SMILES for 1,5-bis(oxiran-2-yl)pentan-3-ol is OC(CCC1CO1)CCC1CO1.
What is the InChIKey of 1,5-bis(oxiran-2-yl)pentan-3-ol?
The InChIKey is MWRLBIGNEFREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7(1-3-8-5-11-8)2-4-9-6-12-9/h7-10H,1-6H2.
What are the key properties of 1,5-bis(oxiran-2-yl)pentan-3-ol?
1,5-bis(oxiran-2-yl)pentan-3-ol has a molecular weight of 172.22 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(oxiran-2-yl)pentan-3-ol is sourced from PubChem (CID 20657102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).