methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate

C20H20O7 — CID 15715590

IUPACmethyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate
SMILESCOC(=O)c1c2c(c(OC(C)=O)c3c(OC(C)=O)ccc(OC)c13)CCC2
InChIInChI=1S/C20H20O7/c1-10(21)26-15-9-8-14(24-3)17-16(20(23)25-4)12-6-5-7-13(12)19(18(15)17)27-11(2)22/h8-9H,5-7H2,1-4H3
InChIKeyUPDKRCOKDZYCSQ-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.97
Rot. Bonds4

About methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate

methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate (PubChem CID 15715590) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate
PubChem CID15715590
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Namemethyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate
SMILESCOC(=O)c1c2c(c(OC(C)=O)c3c(OC(C)=O)ccc(OC)c13)CCC2
InChIInChI=1S/C20H20O7/c1-10(21)26-15-9-8-14(24-3)17-16(20(23)25-4)12-6-5-7-13(12)19(18(15)17)27-11(2)22/h8-9H,5-7H2,1-4H3
InChIKeyUPDKRCOKDZYCSQ-UHFFFAOYSA-N
XLogP2.97
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4,9-diacetyloxy-5,6,7,8-tetrahydrophenanthren-1-yl) acetate
CID 11810420
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
(4-acetyloxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 152625052
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
methyl 5-acetyloxy-4,6,7-trimethoxynaphthalene-2-carboxylate
CID 73013836
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
dimethyl 4-acetyloxy-3,6-dimethylbenzene-1,2-dicarboxylate
CID 151006426
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
methyl 1-acetyloxy-4-(4-acetyloxy-2-hydroxy-6,7-dimethoxy-3-methoxycarbonylnaphthalen-1-yl)-3-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
CID 101251724

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate?
The IUPAC name of methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate (CID 15715590) is methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate.
What is the SMILES notation for methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate?
The canonical SMILES for methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate is COC(=O)c1c2c(c(OC(C)=O)c3c(OC(C)=O)ccc(OC)c13)CCC2.
What is the InChIKey of methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate?
The InChIKey is UPDKRCOKDZYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-10(21)26-15-9-8-14(24-3)17-16(20(23)25-4)12-6-5-7-13(12)19(18(15)17)27-11(2)22/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate?
methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate has a molecular weight of 372.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-diacetyloxy-8-methoxy-2,3-dihydro-1H-cyclopenta[b]naphthalene-9-carboxylate is sourced from PubChem (CID 15715590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).