1-butoxybutane;bis(prop-1-ene)

C14H30O — CID 22988877

IUPAC1-butoxybutane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCOCCCC
InChIInChI=1S/C8H18O.2C3H6/c1-3-5-7-9-8-6-4-2;2*1-3-2/h3-8H2,1-2H3;2*3H,1H2,2H3
InChIKeyVNHMOICRDKYJGB-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.99
Rot. Bonds6

About 1-butoxybutane;bis(prop-1-ene)

1-butoxybutane;bis(prop-1-ene) (PubChem CID 22988877) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-butoxybutane;bis(prop-1-ene).

Molecular Properties

Compound Name1-butoxybutane;bis(prop-1-ene)
PubChem CID22988877
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-butoxybutane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCOCCCC
InChIInChI=1S/C8H18O.2C3H6/c1-3-5-7-9-8-6-4-2;2*1-3-2/h3-8H2,1-2H3;2*3H,1H2,2H3
InChIKeyVNHMOICRDKYJGB-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.99
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-butoxybutane;bis(prop-1-ene)?
The IUPAC name of 1-butoxybutane;bis(prop-1-ene) (CID 22988877) is 1-butoxybutane;bis(prop-1-ene).
What is the SMILES notation for 1-butoxybutane;bis(prop-1-ene)?
The canonical SMILES for 1-butoxybutane;bis(prop-1-ene) is C=CC.C=CC.CCCCOCCCC.
What is the InChIKey of 1-butoxybutane;bis(prop-1-ene)?
The InChIKey is VNHMOICRDKYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2C3H6/c1-3-5-7-9-8-6-4-2;2*1-3-2/h3-8H2,1-2H3;2*3H,1H2,2H3.
What are the key properties of 1-butoxybutane;bis(prop-1-ene)?
1-butoxybutane;bis(prop-1-ene) has a molecular weight of 214.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;bis(prop-1-ene) is sourced from PubChem (CID 22988877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).