[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate

C9H14O2 — CID 143198553

IUPAC[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
SMILESC/C=C\C(=C/CC)COC=O
InChIInChI=1S/C9H14O2/c1-3-5-9(6-4-2)7-11-8-10/h3,5-6,8H,4,7H2,1-2H3/b5-3-,9-6+
InChIKeyZOQJJHMUBKCJNP-PAEKIZANSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds5

About [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate

[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate (PubChem CID 143198553) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate.

Molecular Properties

Compound Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
PubChem CID143198553
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
SMILESC/C=C\C(=C/CC)COC=O
InChIInChI=1S/C9H14O2/c1-3-5-9(6-4-2)7-11-8-10/h3,5-6,8H,4,7H2,1-2H3/b5-3-,9-6+
InChIKeyZOQJJHMUBKCJNP-PAEKIZANSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-ethyl-N-propylcarbamate
CID 142861661
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
pent-2-en-2-yl formate
CID 54239805
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate;toluene
CID 144729713
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
CID 145290933
2-oxopropyl formate
CID 10920454
tert-butyl formate;2-N,2-dimethyl-1-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]hexane-1,2-diamine
CID 142299348

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate?
The IUPAC name of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate (CID 143198553) is [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate.
What is the SMILES notation for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate?
The canonical SMILES for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate is C/C=C\C(=C/CC)COC=O.
What is the InChIKey of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate?
The InChIKey is ZOQJJHMUBKCJNP-PAEKIZANSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-9(6-4-2)7-11-8-10/h3,5-6,8H,4,7H2,1-2H3/b5-3-,9-6+.
What are the key properties of [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate?
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate is sourced from PubChem (CID 143198553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).