spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate

C14H16O2 — CID 164546880

IUPACspiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
SMILESC=CC(=O)OC1=CC=CC12C=CCCCC2
InChIInChI=1S/C14H16O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,5,7-9,11H,1,3-4,6,10H2
InChIKeyYHQYXGXEOPOKAR-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.29
Rot. Bonds2

About spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate

spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate (PubChem CID 164546880) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate.

Molecular Properties

Compound Namespiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
PubChem CID164546880
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namespiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
SMILESC=CC(=O)OC1=CC=CC12C=CCCCC2
InChIInChI=1S/C14H16O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,5,7-9,11H,1,3-4,6,10H2
InChIKeyYHQYXGXEOPOKAR-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.29
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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Related Compounds

prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
CID 155678353
(1-methylcycloheptyl) prop-2-enoate;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161154462
[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
CID 59832713
[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
CID 59739110
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
spiro[4.4]nona-1,3,6,8-tetraen-4-yl 2-methylprop-2-enoate
CID 164546891
(1Z)-3,3-difluorocyclooctene
CID 129263045
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
CID 86205503
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089

Frequently Asked Questions

What is the IUPAC name of spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate?
The IUPAC name of spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate (CID 164546880) is spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate.
What is the SMILES notation for spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate?
The canonical SMILES for spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate is C=CC(=O)OC1=CC=CC12C=CCCCC2.
What is the InChIKey of spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate?
The InChIKey is YHQYXGXEOPOKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-13(15)16-12-8-7-11-14(12)9-5-3-4-6-10-14/h2,5,7-9,11H,1,3-4,6,10H2.
What are the key properties of spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate?
spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate is sourced from PubChem (CID 164546880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).