1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane

C10H18O2 — CID 131862355

IUPAC1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
SMILESC/C=C\OCCCCO/C=C/C
InChIInChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b7-3-,8-4+
InChIKeyYFHHXQIZUPLLTO-KYPMKJFLSA-N
MW170.25 g/mol
LogP2.87
Rot. Bonds7

About 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane

1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane (PubChem CID 131862355) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
PubChem CID131862355
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
SMILESC/C=C\OCCCCO/C=C/C
InChIInChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b7-3-,8-4+
InChIKeyYFHHXQIZUPLLTO-KYPMKJFLSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.87
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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Related Compounds

1,10-bis(prop-1-enoxy)decane
CID 54271291
1-prop-1-enoxydecane
CID 54116737
8-methyl-1-prop-1-enoxynonane
CID 152729157
trimethoxy(7-prop-1-enoxyheptyl)silane
CID 151084650
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861
silane;tribromo(3-prop-1-enoxypropyl)silane
CID 161219815
1-isocyanato-8-prop-1-enoxyoctane
CID 151373241
[1,7-bis(prop-1-enoxy)-4-(3-prop-1-enoxypropyl)heptan-4-yl]oxysilane
CID 123385784
2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176604691
4,4-diethoxy-1-prop-1-enoxypentane
CID 151988040
1-hex-2-enoxy-7-prop-1-enoxyheptane
CID 173319235
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane?
The IUPAC name of 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane (CID 131862355) is 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane.
What is the SMILES notation for 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane?
The canonical SMILES for 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane is C/C=C\OCCCCO/C=C/C.
What is the InChIKey of 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane?
The InChIKey is YFHHXQIZUPLLTO-KYPMKJFLSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b7-3-,8-4+.
What are the key properties of 1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane?
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane has a molecular weight of 170.25 g/mol, XLogP of 2.87, 7 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-[(E)-prop-1-enoxy]butane is sourced from PubChem (CID 131862355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).