(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate

C24H28O6 — CID 10927765

IUPAC(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c2cc3c(cc2c1OC(C)=O)C(C)(C)CCC3(C)C
InChIInChI=1S/C24H28O6/c1-13(25)28-20-12-21(29-14(2)26)22(30-15(3)27)17-11-19-18(10-16(17)20)23(4,5)8-9-24(19,6)7/h10-12H,8-9H2,1-7H3
InChIKeyVCDRWFVPOQFDFF-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.96
Rot. Bonds3

About (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate

(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate (PubChem CID 10927765) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate.

Molecular Properties

Compound Name(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate
PubChem CID10927765
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c2cc3c(cc2c1OC(C)=O)C(C)(C)CCC3(C)C
InChIInChI=1S/C24H28O6/c1-13(25)28-20-12-21(29-14(2)26)22(30-15(3)27)17-11-19-18(10-16(17)20)23(4,5)8-9-24(19,6)7/h10-12H,8-9H2,1-7H3
InChIKeyVCDRWFVPOQFDFF-UHFFFAOYSA-N
XLogP4.96
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-acetyloxy-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalene-2-carboxylic acid
CID 19837482
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CID 3017916
(2,3-diacetyloxy-4-methylphenyl) acetate;(3,4,5-triacetyloxy-2-methylphenyl) acetate
CID 88611295
[4-[methyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-7-oxocyclohepta-1,3,5-trien-1-yl] acetate
CID 58934318
[2-methoxy-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl] acetate
CID 70411359
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428250
(4-acetyloxy-7-ethyl-3-methoxynaphthalen-1-yl) acetate
CID 19872956
[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl] acetate
CID 19760315
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001

Frequently Asked Questions

What is the IUPAC name of (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate?
The IUPAC name of (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate (CID 10927765) is (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate.
What is the SMILES notation for (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate?
The canonical SMILES for (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate is CC(=O)Oc1cc(OC(C)=O)c2cc3c(cc2c1OC(C)=O)C(C)(C)CCC3(C)C.
What is the InChIKey of (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate?
The InChIKey is VCDRWFVPOQFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c1-13(25)28-20-12-21(29-14(2)26)22(30-15(3)27)17-11-19-18(10-16(17)20)23(4,5)8-9-24(19,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate?
(3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate has a molecular weight of 412.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diacetyloxy-5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl) acetate is sourced from PubChem (CID 10927765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).