ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene

C9H18O — CID 142889094

IUPACethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\O/C(C)=C\C.CC
InChIInChI=1S/C7H12O.C2H6/c1-4-6-8-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyHDANBXDJYKNOQC-ISOJEIHBSA-N
MW142.24 g/mol
LogP3.49
Rot. Bonds2

About ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene

ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene (PubChem CID 142889094) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene.

Molecular Properties

Compound Nameethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
PubChem CID142889094
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\O/C(C)=C\C.CC
InChIInChI=1S/C7H12O.C2H6/c1-4-6-8-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-;
InChIKeyHDANBXDJYKNOQC-ISOJEIHBSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
[(E)-prop-1-enyl] acetate
CID 637917
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
1-[(E)-prop-1-enoxy]ethenol
CID 140967802
methoxysilane;prop-1-enyl acetate
CID 174837390
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
[(Z)-but-2-en-2-yl]oxymethanamine
CID 141115606
but-2-en-2-yloxymethanamine
CID 54051343
[(Z)-prop-1-enyl] 2-sulfanylacetate
CID 173115431
[(E)-prop-1-enyl] 2-sulfanylacetate
CID 87590908
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The IUPAC name of ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene (CID 142889094) is ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene.
What is the SMILES notation for ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The canonical SMILES for ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene is C/C=C\O/C(C)=C\C.CC.
What is the InChIKey of ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The InChIKey is HDANBXDJYKNOQC-ISOJEIHBSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-4-6-8-7(3)5-2;1-2/h4-6H,1-3H3;1-2H3/b6-4-,7-5-;.
What are the key properties of ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene has a molecular weight of 142.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene is sourced from PubChem (CID 142889094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).