[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate

C14H20O2 — CID 20709372

IUPAC[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
SMILESC/C=C/C(C)OC(=O)/C=C/C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3+,11-10+
InChIKeyRCNXNXBOGJRFPJ-LRPGZYIXSA-N
MW220.31 g/mol
LogP3.55
Rot. Bonds4

About [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate

[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate (PubChem CID 20709372) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
PubChem CID20709372
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
SMILESC/C=C/C(C)OC(=O)/C=C/C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3+,11-10+
InChIKeyRCNXNXBOGJRFPJ-LRPGZYIXSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The IUPAC name of [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate (CID 20709372) is [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The canonical SMILES for [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate is C/C=C/C(C)OC(=O)/C=C/C1=CCCCC1.
What is the InChIKey of [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The InChIKey is RCNXNXBOGJRFPJ-LRPGZYIXSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3+,11-10+.
What are the key properties of [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate is sourced from PubChem (CID 20709372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).