1-(butoxymethyl)cyclopropene

C8H14O — CID 86070273

IUPAC1-(butoxymethyl)cyclopropene
SMILESCCCCOCC1=CC1
InChIInChI=1S/C8H14O/c1-2-3-6-9-7-8-4-5-8/h4H,2-3,5-7H2,1H3
InChIKeyDBNUHCYIRLSBOR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds5

About 1-(butoxymethyl)cyclopropene

1-(butoxymethyl)cyclopropene (PubChem CID 86070273) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(butoxymethyl)cyclopropene.

Molecular Properties

Compound Name1-(butoxymethyl)cyclopropene
PubChem CID86070273
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-(butoxymethyl)cyclopropene
SMILESCCCCOCC1=CC1
InChIInChI=1S/C8H14O/c1-2-3-6-9-7-8-4-5-8/h4H,2-3,5-7H2,1H3
InChIKeyDBNUHCYIRLSBOR-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(butoxymethyl)cyclopropene?
The IUPAC name of 1-(butoxymethyl)cyclopropene (CID 86070273) is 1-(butoxymethyl)cyclopropene.
What is the SMILES notation for 1-(butoxymethyl)cyclopropene?
The canonical SMILES for 1-(butoxymethyl)cyclopropene is CCCCOCC1=CC1.
What is the InChIKey of 1-(butoxymethyl)cyclopropene?
The InChIKey is DBNUHCYIRLSBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-6-9-7-8-4-5-8/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-(butoxymethyl)cyclopropene?
1-(butoxymethyl)cyclopropene has a molecular weight of 126.20 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)cyclopropene is sourced from PubChem (CID 86070273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).