spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate

C14H18O2 — CID 164546718

IUPACspiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC12CCCCC2
InChIInChI=1S/C14H18O2/c1-11(2)13(15)16-12-7-6-10-14(12)8-4-3-5-9-14/h6-7,10H,1,3-5,8-9H2,2H3
InChIKeyQPICYODSPDYJGX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.51
Rot. Bonds2

About spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate

spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate (PubChem CID 164546718) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namespiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate
PubChem CID164546718
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namespiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC12CCCCC2
InChIInChI=1S/C14H18O2/c1-11(2)13(15)16-12-7-6-10-14(12)8-4-3-5-9-14/h6-7,10H,1,3-5,8-9H2,2H3
InChIKeyQPICYODSPDYJGX-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one
CID 11171951
5-(2,5-dimethylheptanyl)-3-methyl-2H-pyran-2-one, diastereomer 1
CID 91750804
5-(3,5-dimethylheptanyl)-3-methyl-2H-pyran-2-one, diastereomer 1
CID 91750806
(3-Ethenyl-2-bicyclo[2.2.1]hept-2-enyl) 2-methylprop-2-enoate
CID 69745562
[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate
CID 134170354
[(5S)-5,6,6-triethyl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl] prop-2-enoate
CID 140079535
(2,3,3-Trimethylcyclohexen-1-yl) prop-2-enoate
CID 141031451
[(E)-7,10-dimethyl-3,6-dimethylideneundec-4-en-5-yl] prop-2-enoate;ethane
CID 145122550
[4-(5-Methylhexan-2-yl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 145488508
[3,5-dimethyl-4-[(3E,5E)-6-(2-methylprop-2-enoyloxy)hepta-3,5-dien-3-yl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 154990076
[4-[2-Methyl-2-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]propyl]cyclohexa-1,3-dien-1-yl] 2-methylprop-2-enoate
CID 155219814

Frequently Asked Questions

What is the IUPAC name of spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate?
The IUPAC name of spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate (CID 164546718) is spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate?
The canonical SMILES for spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CC12CCCCC2.
What is the InChIKey of spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate?
The InChIKey is QPICYODSPDYJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(2)13(15)16-12-7-6-10-14(12)8-4-3-5-9-14/h6-7,10H,1,3-5,8-9H2,2H3.
What are the key properties of spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate?
spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.5]deca-1,3-dien-4-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164546718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).