3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate

C15H18O2 — CID 102590647

IUPAC3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=Cc2ccccc2CC1
InChIInChI=1S/C15H18O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,10H,8-9H2,1-3H3
InChIKeyTYLOCIDMZGIHDP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.56
Rot. Bonds1

About 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate

3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate (PubChem CID 102590647) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate
PubChem CID102590647
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=Cc2ccccc2CC1
InChIInChI=1S/C15H18O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,10H,8-9H2,1-3H3
InChIKeyTYLOCIDMZGIHDP-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2R,4R)-3-(3,4-dihydronaphthalen-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 146488905
phenyl N-(3,4-dihydronaphthalen-2-yl)carbamate
CID 15537686
cyclohexane-1,3-dione;(3-oxocyclohexen-1-yl) 2,2-dimethylpropanoate
CID 159024647
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
cyclohexa-1,3-dien-1-yl 2,2-dimethylpropanoate
CID 159378750
[2-(2,2-dimethylpropanoyloxy)phenyl] benzoate
CID 2320209
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
(6-acetamido-3,4-dihydronaphthalen-2-yl) acetate
CID 70154325
N-[2-(3,4-dihydronaphthalen-2-yl)propan-2-yl]-1-phenylmethanimine
CID 10978709
(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
CID 91734569
(2-methyl-6,11-dioxo-3,4-dihydrotetracen-5-yl) 2,2-dimethylpropanoate
CID 95931126
2-[dimethyl(trimethylsilyl)silyl]oxy-1-(1H-inden-2-yl)-2-methylpropan-1-one
CID 164964416

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate (CID 102590647) is 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1=Cc2ccccc2CC1.
What is the InChIKey of 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate?
The InChIKey is TYLOCIDMZGIHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate?
3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate has a molecular weight of 230.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalen-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 102590647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).