1-[(Z)-prop-1-enoxy]-4-propoxybutane

C10H20O2 — CID 87948439

IUPAC1-[(Z)-prop-1-enoxy]-4-propoxybutane
SMILESC/C=C\OCCCCOCCC
InChIInChI=1S/C10H20O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3,7H,4-6,8-10H2,1-2H3/b7-3-
InChIKeyPLPZSZAROAIXQN-CLTKARDFSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds8

About 1-[(Z)-prop-1-enoxy]-4-propoxybutane

1-[(Z)-prop-1-enoxy]-4-propoxybutane (PubChem CID 87948439) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enoxy]-4-propoxybutane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enoxy]-4-propoxybutane
PubChem CID87948439
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[(Z)-prop-1-enoxy]-4-propoxybutane
SMILESC/C=C\OCCCCOCCC
InChIInChI=1S/C10H20O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3,7H,4-6,8-10H2,1-2H3/b7-3-
InChIKeyPLPZSZAROAIXQN-CLTKARDFSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-prop-1-enoxy]-4-propoxybutane?
The IUPAC name of 1-[(Z)-prop-1-enoxy]-4-propoxybutane (CID 87948439) is 1-[(Z)-prop-1-enoxy]-4-propoxybutane.
What is the SMILES notation for 1-[(Z)-prop-1-enoxy]-4-propoxybutane?
The canonical SMILES for 1-[(Z)-prop-1-enoxy]-4-propoxybutane is C/C=C\OCCCCOCCC.
What is the InChIKey of 1-[(Z)-prop-1-enoxy]-4-propoxybutane?
The InChIKey is PLPZSZAROAIXQN-CLTKARDFSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3,7H,4-6,8-10H2,1-2H3/b7-3-.
What are the key properties of 1-[(Z)-prop-1-enoxy]-4-propoxybutane?
1-[(Z)-prop-1-enoxy]-4-propoxybutane has a molecular weight of 172.27 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enoxy]-4-propoxybutane is sourced from PubChem (CID 87948439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).