3-ethenoxy-2-propoxyprop-1-ene

C8H14O2 — CID 87965615

IUPAC3-ethenoxy-2-propoxyprop-1-ene
SMILESC=COCC(=C)OCCC
InChIInChI=1S/C8H14O2/c1-4-6-10-8(3)7-9-5-2/h5H,2-4,6-7H2,1H3
InChIKeyBDPBYCRFIBAZHL-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds6

About 3-ethenoxy-2-propoxyprop-1-ene

3-ethenoxy-2-propoxyprop-1-ene (PubChem CID 87965615) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethenoxy-2-propoxyprop-1-ene.

Molecular Properties

Compound Name3-ethenoxy-2-propoxyprop-1-ene
PubChem CID87965615
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethenoxy-2-propoxyprop-1-ene
SMILESC=COCC(=C)OCCC
InChIInChI=1S/C8H14O2/c1-4-6-10-8(3)7-9-5-2/h5H,2-4,6-7H2,1H3
InChIKeyBDPBYCRFIBAZHL-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-propoxybut-1-ene
CID 22498061
2-propoxyprop-2-en-1-amine
CID 129234391
2-propoxyprop-2-en-1-ol
CID 89416516
1-(1-bromoethenoxy)propane
CID 59930688
carbamic acid;propyl prop-2-enoate
CID 87571569
1-(1-fluoroethenoxy)propane
CID 22996827
1,4-bis(ethenoxy)butane;butane
CID 158192522
ethenoxyethene;propyl prop-2-enoate
CID 174744389
1-ethenoxybutane;hydrate
CID 174447139
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-propoxyprop-1-ene?
The IUPAC name of 3-ethenoxy-2-propoxyprop-1-ene (CID 87965615) is 3-ethenoxy-2-propoxyprop-1-ene.
What is the SMILES notation for 3-ethenoxy-2-propoxyprop-1-ene?
The canonical SMILES for 3-ethenoxy-2-propoxyprop-1-ene is C=COCC(=C)OCCC.
What is the InChIKey of 3-ethenoxy-2-propoxyprop-1-ene?
The InChIKey is BDPBYCRFIBAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-10-8(3)7-9-5-2/h5H,2-4,6-7H2,1H3.
What are the key properties of 3-ethenoxy-2-propoxyprop-1-ene?
3-ethenoxy-2-propoxyprop-1-ene has a molecular weight of 142.20 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-propoxyprop-1-ene is sourced from PubChem (CID 87965615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).