(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate

C17H22O2 — CID 89397821

IUPAC(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCC)Cc2ccccc2C1
InChIInChI=1S/C17H22O2/c1-4-5-10-17(19-16(18)13(2)3)11-14-8-6-7-9-15(14)12-17/h6-9H,2,4-5,10-12H2,1,3H3
InChIKeyYENNBANALIFXGE-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.83
Rot. Bonds5

About (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate

(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate (PubChem CID 89397821) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
PubChem CID89397821
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCC)Cc2ccccc2C1
InChIInChI=1S/C17H22O2/c1-4-5-10-17(19-16(18)13(2)3)11-14-8-6-7-9-15(14)12-17/h6-9H,2,4-5,10-12H2,1,3H3
InChIKeyYENNBANALIFXGE-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.83
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

(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
CID 89397792
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
CID 22119740
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
[2-(2-oxopentyl)-3,4-dihydro-1H-naphthalen-2-yl] acetate
CID 67698999
[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476823
(5-prop-2-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl) 2-methylprop-2-enoate
CID 58341803
(2-amino-1,3-dihydroinden-2-yl) butanoate
CID 174556111
(1-ethyl-4-oxocyclohexyl) 2-methylprop-2-enoate
CID 88988887
[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476842
(2-octadecylphenyl) 2-methylprop-2-enoate
CID 141143341
[2-(1,1-dibromononyl)phenyl] 2-methylprop-2-enoate
CID 70386256
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate (CID 89397821) is (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCCC)Cc2ccccc2C1.
What is the InChIKey of (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate?
The InChIKey is YENNBANALIFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-5-10-17(19-16(18)13(2)3)11-14-8-6-7-9-15(14)12-17/h6-9H,2,4-5,10-12H2,1,3H3.
What are the key properties of (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate?
(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 89397821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).