2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate

C17H22O2 — CID 14487612

IUPAC2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1=CCc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3
InChIKeyIYWWINMILOVFBK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.67
Rot. Bonds2

About 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate

2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate (PubChem CID 14487612) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate
PubChem CID14487612
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)C1=CCc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3
InChIKeyIYWWINMILOVFBK-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-acetyloxypropan-2-yl)-5,8-dimethylnaphthalen-2-yl] acetate
CID 162820147
benzoic acid;tert-butyl acetate
CID 143820890
methyl 4,7-dimethyl-3-oxo-1,2-dihydroindene-2-carboxylate
CID 15254136
2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
CID 142944193
tert-butyl acetate
CID 159704758
2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
[5-(2-acetyloxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] acetate
CID 10083656
[1-(4-chloro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146005911
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate?
The IUPAC name of 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate (CID 14487612) is 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate.
What is the SMILES notation for 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate?
The canonical SMILES for 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate is CC(=O)OC(C)(C)C1=CCc2c(C)ccc(C)c2C1.
What is the InChIKey of 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate?
The InChIKey is IYWWINMILOVFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate?
2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate has a molecular weight of 258.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate is sourced from PubChem (CID 14487612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).