CID 10793855

C30H42GaO9 — CID 10793855

IUPAC—
SMILESCCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.[Ga]
InChIInChI=1S/3C10H14O3.Ga/c3*1-3-4-5-9-10(12)8(11)6-7(2)13-9;/h3*6,12H,3-5H2,1-2H3;
InChIKeyGSYYJCVKEZUKIJ-UHFFFAOYSA-N
MW616.38 g/mol
LogP5.61
Rot. Bonds9

About CID 10793855

CID 10793855 (PubChem CID 10793855) has the molecular formula C30H42GaO9 and a molecular weight of 616.38 g/mol.

Molecular Properties

Compound NameCID 10793855
PubChem CID10793855
Molecular FormulaC30H42GaO9
Molecular Weight616.38 g/mol
Exact Mass615.21
IUPAC Name—
SMILESCCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.[Ga]
InChIInChI=1S/3C10H14O3.Ga/c3*1-3-4-5-9-10(12)8(11)6-7(2)13-9;/h3*6,12H,3-5H2,1-2H3;
InChIKeyGSYYJCVKEZUKIJ-UHFFFAOYSA-N
XLogP5.61
TPSA151.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.38
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 10793855?
The IUPAC name of CID 10793855 (CID 10793855) is not available.
What is the SMILES notation for CID 10793855?
The canonical SMILES for CID 10793855 is CCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.CCCCc1oc(C)cc(=O)c1O.[Ga].
What is the InChIKey of CID 10793855?
The InChIKey is GSYYJCVKEZUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14O3.Ga/c3*1-3-4-5-9-10(12)8(11)6-7(2)13-9;/h3*6,12H,3-5H2,1-2H3;.
What are the key properties of CID 10793855?
CID 10793855 has a molecular weight of 616.38 g/mol, XLogP of 5.61, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10793855 is sourced from PubChem (CID 10793855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).