spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate

C19H24O2 — CID 58341767

IUPACspiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1c2ccccc2CCCCC12CCC2
InChIInChI=1S/C19H24O2/c1-14(2)18(20)21-17-16-10-4-3-8-15(16)9-5-6-11-19(17)12-7-13-19/h3-4,8,10,17H,1,5-7,9,11-13H2,2H3
InChIKeySJGMCEFPRDWLFC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.74
Rot. Bonds2

About spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate

spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate (PubChem CID 58341767) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namespiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate
PubChem CID58341767
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Namespiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1c2ccccc2CCCCC12CCC2
InChIInChI=1S/C19H24O2/c1-14(2)18(20)21-17-16-10-4-3-8-15(16)9-5-6-11-19(17)12-7-13-19/h3-4,8,10,17H,1,5-7,9,11-13H2,2H3
InChIKeySJGMCEFPRDWLFC-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.74
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

(5-methylspiro[7,8,9,10-tetrahydrobenzo[8]annulene-6,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 58341765
(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
CID 89397792
(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
CID 58341803
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
[3-[2-(1-ethylcyclopentyl)oxy-2-oxoethyl]-9H-fluoren-9-yl] 2-methylprop-2-enoate
CID 130411134
N-spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ylacetamide
CID 21433683
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
methyl (1aS,7bS)-3,7b-dihydro-2H-naphtho[1,2-b]oxirene-1a-carboxylate
CID 125117119
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
N-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 153395862
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
CID 59310285

Frequently Asked Questions

What is the IUPAC name of spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate?
The IUPAC name of spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate (CID 58341767) is spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate.
What is the SMILES notation for spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate?
The canonical SMILES for spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1c2ccccc2CCCCC12CCC2.
What is the InChIKey of spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate?
The InChIKey is SJGMCEFPRDWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-14(2)18(20)21-17-16-10-4-3-8-15(16)9-5-6-11-19(17)12-7-13-19/h3-4,8,10,17H,1,5-7,9,11-13H2,2H3.
What are the key properties of spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate?
spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7,8,9,10-tetrahydro-5H-benzo[8]annulene-6,1'-cyclobutane]-5-yl 2-methylprop-2-enoate is sourced from PubChem (CID 58341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).