(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate

C15H18O2 — CID 59868532

IUPAC(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate
SMILESC=C1CC(OC(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18O2/c1-10-9-13(17-14(16)15(2,3)4)12-8-6-5-7-11(10)12/h5-8,13H,1,9H2,2-4H3
InChIKeyDYTZTRLQQBAQIJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.73
Rot. Bonds1

About (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate

(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate (PubChem CID 59868532) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate
PubChem CID59868532
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate
SMILESC=C1CC(OC(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C15H18O2/c1-10-9-13(17-14(16)15(2,3)4)12-8-6-5-7-11(10)12/h5-8,13H,1,9H2,2-4H3
InChIKeyDYTZTRLQQBAQIJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
O-Methylbenzyl acetate
CID 87085
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
1-Phenylpropyl butyrate
CID 61447
Benzyl pivalate
CID 74977
1-Phenylpropyl acetate
CID 101134
Benzenemethanol, alpha-ethenyl-, 1-acetate
CID 111277
Methoxyindane
CID 70506
Indene oxide
CID 92838
1,3-Propanediol, 1-phenyl-, 1,3-diacetate
CID 97745

Frequently Asked Questions

What is the IUPAC name of (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate (CID 59868532) is (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate is C=C1CC(OC(=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate?
The InChIKey is DYTZTRLQQBAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-9-13(17-14(16)15(2,3)4)12-8-6-5-7-11(10)12/h5-8,13H,1,9H2,2-4H3.
What are the key properties of (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate?
(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate has a molecular weight of 230.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 59868532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).