[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate

C11H16O3 — CID 177245835

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
SMILESC=C/C=C(\C=C)COC(=O)OC(C)C
InChIInChI=1S/C11H16O3/c1-5-7-10(6-2)8-13-11(12)14-9(3)4/h5-7,9H,1-2,8H2,3-4H3/b10-7+
InChIKeyBOQGZGUMIXWPRV-JXMROGBWSA-N
MW196.25 g/mol
LogP2.85
Rot. Bonds5

About [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate

[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate (PubChem CID 177245835) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
PubChem CID177245835
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
SMILESC=C/C=C(\C=C)COC(=O)OC(C)C
InChIInChI=1S/C11H16O3/c1-5-7-10(6-2)8-13-11(12)14-9(3)4/h5-7,9H,1-2,8H2,3-4H3/b10-7+
InChIKeyBOQGZGUMIXWPRV-JXMROGBWSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
ethane;5-O-[(2E)-2-ethenylpenta-2,4-dienyl] 1-O-methyl pentanedioate;propan-2-yl carbamate
CID 144950441
5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methyl-5-oxopentanoic acid
CID 142538688
[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate
CID 176960455
[(2E)-2-ethenylpenta-2,4-dienyl] 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 143016192
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide
CID 144874537
tert-butyl 4-[[(2E)-2-ethenylpenta-2,4-dienoxy]carbonylamino]-2-methyl-4-sulfanylbutanoate
CID 164563423
[(2E)-2-ethenylpenta-2,4-dienyl] 2-bromo-2-phenylacetate
CID 144668976

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate (CID 177245835) is [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate is C=C/C=C(\C=C)COC(=O)OC(C)C.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate?
The InChIKey is BOQGZGUMIXWPRV-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-7-10(6-2)8-13-11(12)14-9(3)4/h5-7,9H,1-2,8H2,3-4H3/b10-7+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate?
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate has a molecular weight of 196.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate is sourced from PubChem (CID 177245835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).