[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate

C16H24O3 — CID 70451951

IUPAC[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate
SMILESC=CC(=O)OC1CC/C=C\CC/C=C\CCC1OC
InChIInChI=1S/C16H24O3/c1-3-16(17)19-15-13-11-9-7-5-4-6-8-10-12-14(15)18-2/h3,6-9,14-15H,1,4-5,10-13H2,2H3/b8-6-,9-7-
InChIKeyWYIQDBRFQRTLGB-VRHVFUOLSA-N
MW264.37 g/mol
LogP3.57
Rot. Bonds3

About [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate

[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate (PubChem CID 70451951) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate
PubChem CID70451951
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate
SMILESC=CC(=O)OC1CC/C=C\CC/C=C\CCC1OC
InChIInChI=1S/C16H24O3/c1-3-16(17)19-15-13-11-9-7-5-4-6-8-10-12-14(15)18-2/h3,6-9,14-15H,1,4-5,10-13H2,2H3/b8-6-,9-7-
InChIKeyWYIQDBRFQRTLGB-VRHVFUOLSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate?
The IUPAC name of [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate (CID 70451951) is [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate.
What is the SMILES notation for [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate?
The canonical SMILES for [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate is C=CC(=O)OC1CC/C=C\CC/C=C\CCC1OC.
What is the InChIKey of [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate?
The InChIKey is WYIQDBRFQRTLGB-VRHVFUOLSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-16(17)19-15-13-11-9-7-5-4-6-8-10-12-14(15)18-2/h3,6-9,14-15H,1,4-5,10-13H2,2H3/b8-6-,9-7-.
What are the key properties of [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate?
[(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate has a molecular weight of 264.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,8Z)-12-methoxycyclododeca-4,8-dien-1-yl] prop-2-enoate is sourced from PubChem (CID 70451951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).