4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate

C24H27O4- — CID 3481673

IUPAC4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21
InChIInChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)/p-1
InChIKeyZZUKALQMHNSWTK-UHFFFAOYSA-M
MW379.48 g/mol
LogP3.65
Rot. Bonds3

About 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate

4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate (PubChem CID 3481673) has the molecular formula C24H27O4- and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate.

Molecular Properties

Compound Name4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate
PubChem CID3481673
Molecular FormulaC24H27O4-
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21
InChIInChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)/p-1
InChIKeyZZUKALQMHNSWTK-UHFFFAOYSA-M
XLogP3.65
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate with MolForge

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Related Compounds

Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076
SR 11237
CID 127019
Ethyl 2-naphthoate
CID 76363
Diethyl 4,4'-biphenyldicarboxylate
CID 261553
Methyl 2-(naphthalen-2-yl)benzoate
CID 44332186
1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
CID 102189779
3-[4-[2-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]phenyl]propanoic acid
CID 121472075
4-Phenylnaphtho[2,3-c]furan-1(3H)-one
CID 14376458
Diisobutyl 3,9-perylenedicarboxylate
CID 75973
3-Butoxy-3-phenyl-2-benzofuran-1(3H)-one
CID 610685
Propyl 4-[4-(8-oxo-1,4-dioxaspiro[4.5]deca-6,9-dien-3-yl)phenyl]benzoate
CID 73352201

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate?
The IUPAC name of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate (CID 3481673) is 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate.
What is the SMILES notation for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate?
The canonical SMILES for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate is CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21.
What is the InChIKey of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate?
The InChIKey is ZZUKALQMHNSWTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)/p-1.
What are the key properties of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate?
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate has a molecular weight of 379.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoate is sourced from PubChem (CID 3481673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).