molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid

C34H32MoO8 — CID 87722162

IUPACmolybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid
SMILESCC(C)Oc1ccc2c(c1C(=O)O)Cc1ccccc1O2.CCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2.[Mo]
InChIInChI=1S/2C17H16O4.Mo/c1-10(2)20-15-8-7-14-12(16(15)17(18)19)9-11-5-3-4-6-13(11)21-14;1-2-9-20-15-8-7-14-12(16(15)17(18)19)10-11-5-3-4-6-13(11)21-14;/h3-8,10H,9H2,1-2H3,(H,18,19);3-8H,2,9-10H2,1H3,(H,18,19);
InChIKeyMRSAJMCGLFSBTK-UHFFFAOYSA-N
MW664.56 g/mol
LogP7.74
Rot. Bonds7

About molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid

molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid (PubChem CID 87722162) has the molecular formula C34H32MoO8 and a molecular weight of 664.56 g/mol. Its IUPAC name is molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid.

Molecular Properties

Compound Namemolybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid
PubChem CID87722162
Molecular FormulaC34H32MoO8
Molecular Weight664.56 g/mol
Exact Mass666.12
IUPAC Namemolybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid
SMILESCC(C)Oc1ccc2c(c1C(=O)O)Cc1ccccc1O2.CCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2.[Mo]
InChIInChI=1S/2C17H16O4.Mo/c1-10(2)20-15-8-7-14-12(16(15)17(18)19)9-11-5-3-4-6-13(11)21-14;1-2-9-20-15-8-7-14-12(16(15)17(18)19)10-11-5-3-4-6-13(11)21-14;/h3-8,10H,9H2,1-2H3,(H,18,19);3-8H,2,9-10H2,1H3,(H,18,19);
InChIKeyMRSAJMCGLFSBTK-UHFFFAOYSA-N
XLogP7.74
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.56
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid with MolForge

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Related Compounds

2-(2-methylbutoxy)-9H-xanthene-1-carboxylic acid;molybdenum;2-pentoxy-9H-xanthene-1-carboxylic acid
CID 87721865
2-dodecyl-9H-xanthene-1-carboxylic acid
CID 53428154
benzoic acid;1-ethoxy-9H-xanthene
CID 67134400
2-(9H-xanthen-1-yloxy)benzoic acid
CID 175118326
sodium 2-methyl-9H-xanthene-1-carboxylate
CID 68828129
ethyl 9H-xanthene-1-carboxylate
CID 53405461
butyl 9H-xanthene-1-carboxylate;zinc
CID 66657389
2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid
CID 87721860
CID 67123136
CID 67123136
methyl 9H-xanthene-1-carboxylate
CID 66809757
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237

Frequently Asked Questions

What is the IUPAC name of molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid?
The IUPAC name of molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid (CID 87722162) is molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid.
What is the SMILES notation for molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid?
The canonical SMILES for molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid is CC(C)Oc1ccc2c(c1C(=O)O)Cc1ccccc1O2.CCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2.[Mo].
What is the InChIKey of molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid?
The InChIKey is MRSAJMCGLFSBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16O4.Mo/c1-10(2)20-15-8-7-14-12(16(15)17(18)19)9-11-5-3-4-6-13(11)21-14;1-2-9-20-15-8-7-14-12(16(15)17(18)19)10-11-5-3-4-6-13(11)21-14;/h3-8,10H,9H2,1-2H3,(H,18,19);3-8H,2,9-10H2,1H3,(H,18,19);.
What are the key properties of molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid?
molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid has a molecular weight of 664.56 g/mol, XLogP of 7.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;2-propan-2-yloxy-9H-xanthene-1-carboxylic acid;2-propoxy-9H-xanthene-1-carboxylic acid is sourced from PubChem (CID 87722162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).