spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate

C15H18O2 — CID 164546829

IUPACspiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate
SMILESC=CC(=O)OC1=CC=CCC12C=CCCCC2
InChIInChI=1S/C15H18O2/c1-2-14(16)17-13-9-5-8-12-15(13)10-6-3-4-7-11-15/h2,5-6,8-10H,1,3-4,7,11-12H2
InChIKeyJTKRIECDMXDEPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.68
Rot. Bonds2

About spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate

spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate (PubChem CID 164546829) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate.

Molecular Properties

Compound Namespiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate
PubChem CID164546829
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namespiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate
SMILESC=CC(=O)OC1=CC=CCC12C=CCCCC2
InChIInChI=1S/C15H18O2/c1-2-14(16)17-13-9-5-8-12-15(13)10-6-3-4-7-11-15/h2,5-6,8-10H,1,3-4,7,11-12H2
InChIKeyJTKRIECDMXDEPG-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.68
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

[(5S)-5,6,6-triethyl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] prop-2-enoate
CID 140079535
[4-(5-Methylhexan-2-yl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 145488508
[4-[4-[2-Methyl-1-(4-prop-2-enoyloxycyclohexa-1,3-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 155219816
[4-[2,3-Dimethyl-3-(4-prop-2-enoyloxycyclohexa-1,3-dien-1-yl)butan-2-yl]cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 155219879
Spiro[4.6]undeca-1,3-dien-4-yl 2-methylprop-2-enoate
CID 164546409
Spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate
CID 164546425
Spiro[5.6]dodeca-2,4,11-trien-5-yl 2-methylprop-2-enoate
CID 164546443
Spiro[6.6]trideca-1,3,5-trien-6-yl prop-2-enoate
CID 164546547
Spiro[4.5]deca-1,3-dien-4-yl prop-2-enoate
CID 164546627
Spiro[4.6]undeca-1,3-dien-4-yl prop-2-enoate
CID 164546682
Spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate
CID 164546718
Spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
CID 164546880

Frequently Asked Questions

What is the IUPAC name of spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate?
The IUPAC name of spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate (CID 164546829) is spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate.
What is the SMILES notation for spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate?
The canonical SMILES for spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate is C=CC(=O)OC1=CC=CCC12C=CCCCC2.
What is the InChIKey of spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate?
The InChIKey is JTKRIECDMXDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-14(16)17-13-9-5-8-12-15(13)10-6-3-4-7-11-15/h2,5-6,8-10H,1,3-4,7,11-12H2.
What are the key properties of spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate?
spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate is sourced from PubChem (CID 164546829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).