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

C15H18O2 — CID 164546425

IUPACspiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC12C=CCCCC2
InChIInChI=1S/C15H18O2/c1-12(2)14(16)17-13-8-7-11-15(13)9-5-3-4-6-10-15/h5,7-9,11H,1,3-4,6,10H2,2H3
InChIKeyIEFXEOBQPAKWNU-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.68
Rot. Bonds2

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

spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate (PubChem CID 164546425) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namespiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate
PubChem CID164546425
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namespiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC12C=CCCCC2
InChIInChI=1S/C15H18O2/c1-12(2)14(16)17-13-8-7-11-15(13)9-5-3-4-6-10-15/h5,7-9,11H,1,3-4,6,10H2,2H3
InChIKeyIEFXEOBQPAKWNU-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

(3E)-5-hexyl-3-pentylidenefuran-2-one
CID 10657475
Spiro[4.6]undeca-1,3-dien-4-yl 2-methylprop-2-enoate
CID 164546409
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[4.4]nona-1,3-dien-4-yl 2-methylprop-2-enoate
CID 164546595
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[5.6]dodeca-2,4,11-trien-5-yl prop-2-enoate
CID 164546829
Spiro[4.6]undeca-1,3,10-trien-4-yl prop-2-enoate
CID 164546880
Spiro[6.6]trideca-1,3,5-trien-6-yl 2-methylprop-2-enoate
CID 164546916
(2,6,6-Trimethylcyclohexen-1-yl) undeca-2,4,6,8,10-pentaenoate
CID 173469605

Frequently Asked Questions

What is the IUPAC name of spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate?
The IUPAC name of spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate (CID 164546425) is spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate?
The canonical SMILES for spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CC12C=CCCCC2.
What is the InChIKey of spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate?
The InChIKey is IEFXEOBQPAKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-12(2)14(16)17-13-8-7-11-15(13)9-5-3-4-6-10-15/h5,7-9,11H,1,3-4,6,10H2,2H3.
What are the key properties of spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate?
spiro[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-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[4.6]undeca-1,3,10-trien-4-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164546425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).