1-prop-1-en-2-yloxybutane

C7H14O — CID 14204591

IUPAC1-prop-1-en-2-yloxybutane
SMILESC=C(C)OCCCC
InChIInChI=1S/C7H14O/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3
InChIKeyLBFTVBIHZPCKME-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

About 1-prop-1-en-2-yloxybutane

1-prop-1-en-2-yloxybutane (PubChem CID 14204591) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxybutane.

Molecular Properties

Compound Name1-prop-1-en-2-yloxybutane
PubChem CID14204591
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-prop-1-en-2-yloxybutane
SMILESC=C(C)OCCCC
InChIInChI=1S/C7H14O/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3
InChIKeyLBFTVBIHZPCKME-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yloxybutane?
The IUPAC name of 1-prop-1-en-2-yloxybutane (CID 14204591) is 1-prop-1-en-2-yloxybutane.
What is the SMILES notation for 1-prop-1-en-2-yloxybutane?
The canonical SMILES for 1-prop-1-en-2-yloxybutane is C=C(C)OCCCC.
What is the InChIKey of 1-prop-1-en-2-yloxybutane?
The InChIKey is LBFTVBIHZPCKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-6-8-7(2)3/h2,4-6H2,1,3H3.
What are the key properties of 1-prop-1-en-2-yloxybutane?
1-prop-1-en-2-yloxybutane has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxybutane is sourced from PubChem (CID 14204591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).