CID 10603150

C27H36GaO9 — CID 10603150

IUPAC—
SMILESCCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.[Ga]
InChIInChI=1S/3C9H12O3.Ga/c3*1-3-4-8-9(11)7(10)5-6(2)12-8;/h3*5,11H,3-4H2,1-2H3;
InChIKeyHHVDMZLLARGRIV-UHFFFAOYSA-N
MW574.30 g/mol
LogP4.44
Rot. Bonds6

About CID 10603150

CID 10603150 (PubChem CID 10603150) has the molecular formula C27H36GaO9 and a molecular weight of 574.30 g/mol.

Molecular Properties

Compound NameCID 10603150
PubChem CID10603150
Molecular FormulaC27H36GaO9
Molecular Weight574.30 g/mol
Exact Mass573.16
IUPAC Name—
SMILESCCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.[Ga]
InChIInChI=1S/3C9H12O3.Ga/c3*1-3-4-8-9(11)7(10)5-6(2)12-8;/h3*5,11H,3-4H2,1-2H3;
InChIKeyHHVDMZLLARGRIV-UHFFFAOYSA-N
XLogP4.44
TPSA151.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.30
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 10603150?
The IUPAC name of CID 10603150 (CID 10603150) is not available.
What is the SMILES notation for CID 10603150?
The canonical SMILES for CID 10603150 is CCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.CCCc1oc(C)cc(=O)c1O.[Ga].
What is the InChIKey of CID 10603150?
The InChIKey is HHVDMZLLARGRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12O3.Ga/c3*1-3-4-8-9(11)7(10)5-6(2)12-8;/h3*5,11H,3-4H2,1-2H3;.
What are the key properties of CID 10603150?
CID 10603150 has a molecular weight of 574.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10603150 is sourced from PubChem (CID 10603150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).