1-propa-1,2-dienoxypropane

C6H10O — CID 14205175

IUPAC1-propa-1,2-dienoxypropane
SMILESC=C=COCCC
InChIInChI=1S/C6H10O/c1-3-5-7-6-4-2/h5H,1,4,6H2,2H3
InChIKeyPWBKYVNURCUEIG-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.71
Rot. Bonds3

About 1-propa-1,2-dienoxypropane

1-propa-1,2-dienoxypropane (PubChem CID 14205175) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-propa-1,2-dienoxypropane.

Molecular Properties

Compound Name1-propa-1,2-dienoxypropane
PubChem CID14205175
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-propa-1,2-dienoxypropane
SMILESC=C=COCCC
InChIInChI=1S/C6H10O/c1-3-5-7-6-4-2/h5H,1,4,6H2,2H3
InChIKeyPWBKYVNURCUEIG-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl vinyl ether
CID 8023
Butyl vinyl ether
CID 8108
2-Methoxypropene
CID 8300
1-Methoxypropa-1,2-diene
CID 139403
Propyl vinyl ether
CID 69815
2-Ethoxyprop-1-ene
CID 136710
Vinyl allenyl ether
CID 138227
1,1,3,3,3-Pentadeuterio-2-(trideuteriomethoxy)prop-1-ene
CID 71309418
1,2,3-Butatriene, 1-ethoxy-
CID 141325
Butoxyallene
CID 10975444
t-Butoxyallene
CID 12917091
1-Ethoxypropadiene
CID 13218018

Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienoxypropane?
The IUPAC name of 1-propa-1,2-dienoxypropane (CID 14205175) is 1-propa-1,2-dienoxypropane.
What is the SMILES notation for 1-propa-1,2-dienoxypropane?
The canonical SMILES for 1-propa-1,2-dienoxypropane is C=C=COCCC.
What is the InChIKey of 1-propa-1,2-dienoxypropane?
The InChIKey is PWBKYVNURCUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-7-6-4-2/h5H,1,4,6H2,2H3.
What are the key properties of 1-propa-1,2-dienoxypropane?
1-propa-1,2-dienoxypropane has a molecular weight of 98.14 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienoxypropane is sourced from PubChem (CID 14205175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).