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

C7H12O — CID 142889095

IUPAC(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\O/C(C)=C\C
InChIInChI=1S/C7H12O/c1-4-6-8-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-
InChIKeyNNSXYTQKZKFAFL-PEPZGXQESA-N
MW112.17 g/mol
LogP2.46
Rot. Bonds2

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

(Z)-2-[(Z)-prop-1-enoxy]but-2-ene (PubChem CID 142889095) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z)-2-[(Z)-prop-1-enoxy]but-2-ene.

Molecular Properties

Compound Name(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
PubChem CID142889095
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
SMILESC/C=C\O/C(C)=C\C
InChIInChI=1S/C7H12O/c1-4-6-8-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-
InChIKeyNNSXYTQKZKFAFL-PEPZGXQESA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.46
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

ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
[(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
bis(prop-1-enyl) pentanedioate
CID 91189308

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The IUPAC name of (Z)-2-[(Z)-prop-1-enoxy]but-2-ene (CID 142889095) is (Z)-2-[(Z)-prop-1-enoxy]but-2-ene.
What is the SMILES notation for (Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The canonical SMILES for (Z)-2-[(Z)-prop-1-enoxy]but-2-ene is C/C=C\O/C(C)=C\C.
What is the InChIKey of (Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
The InChIKey is NNSXYTQKZKFAFL-PEPZGXQESA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-8-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-.
What are the key properties of (Z)-2-[(Z)-prop-1-enoxy]but-2-ene?
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene has a molecular weight of 112.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-prop-1-enoxy]but-2-ene is sourced from PubChem (CID 142889095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).