CID 102086849

C14H27GaO- — CID 102086849

IUPAC—
SMILESCC(C)(C)[C@@H]1CC=C([O-])CC1.[CH2]C.[CH2]C.[Ga]
InChIInChI=1S/C10H18O.2C2H5.Ga/c1-10(2,3)8-4-6-9(11)7-5-8;2*1-2;/h6,8,11H,4-5,7H2,1-3H3;2*1H2,2H3;/p-1/t8-;;;/m1.../s1
InChIKeyNUDNCYNRWBGULO-VFIYQRISSA-M
MW281.09 g/mol
LogP3.38
Rot. Bonds

About CID 102086849

CID 102086849 (PubChem CID 102086849) has the molecular formula C14H27GaO- and a molecular weight of 281.09 g/mol.

Molecular Properties

Compound NameCID 102086849
PubChem CID102086849
Molecular FormulaC14H27GaO-
Molecular Weight281.09 g/mol
Exact Mass280.13
IUPAC Name—
SMILESCC(C)(C)[C@@H]1CC=C([O-])CC1.[CH2]C.[CH2]C.[Ga]
InChIInChI=1S/C10H18O.2C2H5.Ga/c1-10(2,3)8-4-6-9(11)7-5-8;2*1-2;/h6,8,11H,4-5,7H2,1-3H3;2*1H2,2H3;/p-1/t8-;;;/m1.../s1
InChIKeyNUDNCYNRWBGULO-VFIYQRISSA-M
XLogP3.38
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102086849?
The IUPAC name of CID 102086849 (CID 102086849) is not available.
What is the SMILES notation for CID 102086849?
The canonical SMILES for CID 102086849 is CC(C)(C)[C@@H]1CC=C([O-])CC1.[CH2]C.[CH2]C.[Ga].
What is the InChIKey of CID 102086849?
The InChIKey is NUDNCYNRWBGULO-VFIYQRISSA-M. The full InChI is InChI=1S/C10H18O.2C2H5.Ga/c1-10(2,3)8-4-6-9(11)7-5-8;2*1-2;/h6,8,11H,4-5,7H2,1-3H3;2*1H2,2H3;/p-1/t8-;;;/m1.../s1.
What are the key properties of CID 102086849?
CID 102086849 has a molecular weight of 281.09 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102086849 is sourced from PubChem (CID 102086849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).