3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione

C43H44O14 — CID 73058409

IUPAC3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
SMILESCOCOc1cc2c(c(OCOC)c1OCc1ccccc1)-c1c(cc(OCOC)c(OCc3ccc4ccccc4c3)c1OCOC)C(=O)OCCCOC2=O
InChIInChI=1S/C43H44O14/c1-46-24-54-34-20-32-36(40(56-26-48-3)38(34)52-22-28-11-6-5-7-12-28)37-33(43(45)51-18-10-17-50-42(32)44)21-35(55-25-47-2)39(41(37)57-27-49-4)53-23-29-15-16-30-13-8-9-14-31(30)19-29/h5-9,11-16,19-21H,10,17-18,22-27H2,1-4H3
InChIKeyLUFGJVQKKARHJN-UHFFFAOYSA-N
MW784.81 g/mol
LogP7.31
Rot. Bonds18

About 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione

3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione (PubChem CID 73058409) has the molecular formula C43H44O14 and a molecular weight of 784.81 g/mol. Its IUPAC name is 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione.

Molecular Properties

Compound Name3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
PubChem CID73058409
Molecular FormulaC43H44O14
Molecular Weight784.81 g/mol
Exact Mass784.27
IUPAC Name3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione
SMILESCOCOc1cc2c(c(OCOC)c1OCc1ccccc1)-c1c(cc(OCOC)c(OCc3ccc4ccccc4c3)c1OCOC)C(=O)OCCCOC2=O
InChIInChI=1S/C43H44O14/c1-46-24-54-34-20-32-36(40(56-26-48-3)38(34)52-22-28-11-6-5-7-12-28)37-33(43(45)51-18-10-17-50-42(32)44)21-35(55-25-47-2)39(41(37)57-27-49-4)53-23-29-15-16-30-13-8-9-14-31(30)19-29/h5-9,11-16,19-21H,10,17-18,22-27H2,1-4H3
InChIKeyLUFGJVQKKARHJN-UHFFFAOYSA-N
XLogP7.31
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.81
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione with MolForge

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Related Compounds

(11S,12S)-11,12-dimethoxy-3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 56927572
3-[3,5-bis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)benzoyl]oxypropyl 3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoate
CID 73058419
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
2-(6-carboxy-2,3-dimethyl-4-phenylmethoxyphenyl)-3,4-dimethyl-5-phenylmethoxybenzoic acid;3,4,5,18,19,20-hexahydroxy-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione;3,4,19,20-tetramethyl-5,18-bis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 159183285
(2R)-2-[[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methoxymethyl]oxirane
CID 122215081
benzyl 3-[(10R)-11-hydroxy-8,14-dioxo-3,4,5,17,18,19-hexakis(phenylmethoxy)-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3-bis(phenylmethoxy)propanoate
CID 134850611
6,7-dimethoxy-5-phenylmethoxy-1-benzofuran-3-one
CID 86192191
1,5-di(nonoxy)-2,3,6,7-tetrakis(phenylmethoxy)anthracene-9,10-dione
CID 101100958
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-benzyl-6-(methoxymethoxy)naphthalene
CID 132602813
2-(phosphorosooxymethyl)naphthalene
CID 69098049

Frequently Asked Questions

What is the IUPAC name of 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione?
The IUPAC name of 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione (CID 73058409) is 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione.
What is the SMILES notation for 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione?
The canonical SMILES for 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione is COCOc1cc2c(c(OCOC)c1OCc1ccccc1)-c1c(cc(OCOC)c(OCc3ccc4ccccc4c3)c1OCOC)C(=O)OCCCOC2=O.
What is the InChIKey of 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione?
The InChIKey is LUFGJVQKKARHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44O14/c1-46-24-54-34-20-32-36(40(56-26-48-3)38(34)52-22-28-11-6-5-7-12-28)37-33(43(45)51-18-10-17-50-42(32)44)21-35(55-25-47-2)39(41(37)57-27-49-4)53-23-29-15-16-30-13-8-9-14-31(30)19-29/h5-9,11-16,19-21H,10,17-18,22-27H2,1-4H3.
What are the key properties of 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione?
3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione has a molecular weight of 784.81 g/mol, XLogP of 7.31, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,17,19-tetrakis(methoxymethoxy)-4-(naphthalen-2-ylmethoxy)-18-phenylmethoxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-8,14-dione is sourced from PubChem (CID 73058409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).