2-pentoxy-3-prop-2-enyloxirane

C10H18O2 — CID 87691163

IUPAC2-pentoxy-3-prop-2-enyloxirane
SMILESC=CCC1OC1OCCCCC
InChIInChI=1S/C10H18O2/c1-3-5-6-8-11-10-9(12-10)7-4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyOKOIVNLUCBLEJF-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds7

About 2-pentoxy-3-prop-2-enyloxirane

2-pentoxy-3-prop-2-enyloxirane (PubChem CID 87691163) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-pentoxy-3-prop-2-enyloxirane.

Molecular Properties

Compound Name2-pentoxy-3-prop-2-enyloxirane
PubChem CID87691163
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-pentoxy-3-prop-2-enyloxirane
SMILESC=CCC1OC1OCCCCC
InChIInChI=1S/C10H18O2/c1-3-5-6-8-11-10-9(12-10)7-4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyOKOIVNLUCBLEJF-UHFFFAOYSA-N
XLogP2.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-3-prop-2-enyloxirane?
The IUPAC name of 2-pentoxy-3-prop-2-enyloxirane (CID 87691163) is 2-pentoxy-3-prop-2-enyloxirane.
What is the SMILES notation for 2-pentoxy-3-prop-2-enyloxirane?
The canonical SMILES for 2-pentoxy-3-prop-2-enyloxirane is C=CCC1OC1OCCCCC.
What is the InChIKey of 2-pentoxy-3-prop-2-enyloxirane?
The InChIKey is OKOIVNLUCBLEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-8-11-10-9(12-10)7-4-2/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 2-pentoxy-3-prop-2-enyloxirane?
2-pentoxy-3-prop-2-enyloxirane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-3-prop-2-enyloxirane is sourced from PubChem (CID 87691163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).