oxirene;1-prop-2-enoxypentane

C10H18O2 — CID 175269271

IUPACoxirene;1-prop-2-enoxypentane
SMILESC1=CO1.C=CCOCCCCC
InChIInChI=1S/C8H16O.C2H2O/c1-3-5-6-8-9-7-4-2;1-2-3-1/h4H,2-3,5-8H2,1H3;1-2H
InChIKeyWYFJRXUYHIMBMY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.87
Rot. Bonds6

About oxirene;1-prop-2-enoxypentane

oxirene;1-prop-2-enoxypentane (PubChem CID 175269271) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is oxirene;1-prop-2-enoxypentane.

Molecular Properties

Compound Nameoxirene;1-prop-2-enoxypentane
PubChem CID175269271
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameoxirene;1-prop-2-enoxypentane
SMILESC1=CO1.C=CCOCCCCC
InChIInChI=1S/C8H16O.C2H2O/c1-3-5-6-8-9-7-4-2;1-2-3-1/h4H,2-3,5-8H2,1H3;1-2H
InChIKeyWYFJRXUYHIMBMY-UHFFFAOYSA-N
XLogP2.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.87
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'}

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Related Compounds

1-prop-2-enoxypentane;zirconium
CID 175164581
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
formic acid;1-prop-2-enoxypentane
CID 174234349
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
buta-1,3-diene;1-pentoxypentane
CID 87924219
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-prop-2-enoxypropane
CID 157267338
3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane
CID 87295740
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of oxirene;1-prop-2-enoxypentane?
The IUPAC name of oxirene;1-prop-2-enoxypentane (CID 175269271) is oxirene;1-prop-2-enoxypentane.
What is the SMILES notation for oxirene;1-prop-2-enoxypentane?
The canonical SMILES for oxirene;1-prop-2-enoxypentane is C1=CO1.C=CCOCCCCC.
What is the InChIKey of oxirene;1-prop-2-enoxypentane?
The InChIKey is WYFJRXUYHIMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H2O/c1-3-5-6-8-9-7-4-2;1-2-3-1/h4H,2-3,5-8H2,1H3;1-2H.
What are the key properties of oxirene;1-prop-2-enoxypentane?
oxirene;1-prop-2-enoxypentane has a molecular weight of 170.25 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirene;1-prop-2-enoxypentane is sourced from PubChem (CID 175269271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).