(Z)-3-[(E)-but-2-enoxy]pent-2-ene

C9H16O — CID 134859086

IUPAC(Z)-3-[(E)-but-2-enoxy]pent-2-ene
SMILESC/C=C(/CC)OC/C=C/C
InChIInChI=1S/C9H16O/c1-4-7-8-10-9(5-2)6-3/h4-5,7H,6,8H2,1-3H3/b7-4+,9-5-
InChIKeyMXTCXUPVXDXPOG-HQHVODAESA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds4

About (Z)-3-[(E)-but-2-enoxy]pent-2-ene

(Z)-3-[(E)-but-2-enoxy]pent-2-ene (PubChem CID 134859086) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-3-[(E)-but-2-enoxy]pent-2-ene.

Molecular Properties

Compound Name(Z)-3-[(E)-but-2-enoxy]pent-2-ene
PubChem CID134859086
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(Z)-3-[(E)-but-2-enoxy]pent-2-ene
SMILESC/C=C(/CC)OC/C=C/C
InChIInChI=1S/C9H16O/c1-4-7-8-10-9(5-2)6-3/h4-5,7H,6,8H2,1-3H3/b7-4+,9-5-
InChIKeyMXTCXUPVXDXPOG-HQHVODAESA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(E)-but-2-enoxy]pent-2-ene?
The IUPAC name of (Z)-3-[(E)-but-2-enoxy]pent-2-ene (CID 134859086) is (Z)-3-[(E)-but-2-enoxy]pent-2-ene.
What is the SMILES notation for (Z)-3-[(E)-but-2-enoxy]pent-2-ene?
The canonical SMILES for (Z)-3-[(E)-but-2-enoxy]pent-2-ene is C/C=C(/CC)OC/C=C/C.
What is the InChIKey of (Z)-3-[(E)-but-2-enoxy]pent-2-ene?
The InChIKey is MXTCXUPVXDXPOG-HQHVODAESA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-8-10-9(5-2)6-3/h4-5,7H,6,8H2,1-3H3/b7-4+,9-5-.
What are the key properties of (Z)-3-[(E)-but-2-enoxy]pent-2-ene?
(Z)-3-[(E)-but-2-enoxy]pent-2-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(E)-but-2-enoxy]pent-2-ene is sourced from PubChem (CID 134859086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).