benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate

C23H28O2 — CID 18792286

IUPACbenzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
SMILESCC1(C)CCC(C)(C)c2cc(CC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)15-21(24)25-16-17-8-6-5-7-9-17/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyOXKVCWFAZOYKJV-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.32
Rot. Bonds4

About benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate

benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate (PubChem CID 18792286) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
PubChem CID18792286
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Namebenzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
SMILESCC1(C)CCC(C)(C)c2cc(CC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)15-21(24)25-16-17-8-6-5-7-9-17/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyOXKVCWFAZOYKJV-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
benzyl 2-(5-methylfuran-3-yl)acetate
CID 134443184
benzyl 2-hydroxy-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethoxy]benzoate
CID 67808421
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
benzyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]acetate
CID 58195019
methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
CID 175494414
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
CID 140798878
diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate
CID 132933625
2-[acetyloxymethyl-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]carbamoyl]benzoic acid
CID 67624521
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate?
The IUPAC name of benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate (CID 18792286) is benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate.
What is the SMILES notation for benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate?
The canonical SMILES for benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate is CC1(C)CCC(C)(C)c2cc(CC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate?
The InChIKey is OXKVCWFAZOYKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)15-21(24)25-16-17-8-6-5-7-9-17/h5-11,14H,12-13,15-16H2,1-4H3.
What are the key properties of benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate?
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate has a molecular weight of 336.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate is sourced from PubChem (CID 18792286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).