butan-2-one;3-prop-2-enoxyprop-1-ene

C10H18O2 — CID 174388766

IUPACbutan-2-one;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCC(C)=O
InChIInChI=1S/C6H10O.C4H8O/c1-3-5-7-6-4-2;1-3-4(2)5/h3-4H,1-2,5-6H2;3H2,1-2H3
InChIKeyBZUCTGSEVYQLRA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.36
Rot. Bonds5

About butan-2-one;3-prop-2-enoxyprop-1-ene

butan-2-one;3-prop-2-enoxyprop-1-ene (PubChem CID 174388766) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is butan-2-one;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namebutan-2-one;3-prop-2-enoxyprop-1-ene
PubChem CID174388766
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namebutan-2-one;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCC(C)=O
InChIInChI=1S/C6H10O.C4H8O/c1-3-5-7-6-4-2;1-3-4(2)5/h3-4H,1-2,5-6H2;3H2,1-2H3
InChIKeyBZUCTGSEVYQLRA-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of butan-2-one;3-prop-2-enoxyprop-1-ene?
The IUPAC name of butan-2-one;3-prop-2-enoxyprop-1-ene (CID 174388766) is butan-2-one;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for butan-2-one;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for butan-2-one;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCC(C)=O.
What is the InChIKey of butan-2-one;3-prop-2-enoxyprop-1-ene?
The InChIKey is BZUCTGSEVYQLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8O/c1-3-5-7-6-4-2;1-3-4(2)5/h3-4H,1-2,5-6H2;3H2,1-2H3.
What are the key properties of butan-2-one;3-prop-2-enoxyprop-1-ene?
butan-2-one;3-prop-2-enoxyprop-1-ene has a molecular weight of 170.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 174388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).