CID 135077004

C14H28CuLiO — CID 135077004

IUPAC—
SMILESCCCCC.CCCCC1C=C(O)CC1.[Cu].[Li]
InChIInChI=1S/C9H16O.C5H12.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-5-4-2;;/h7-8,10H,2-6H2,1H3;3-5H2,1-2H3;;
InChIKeyBBLNMMBALVRUMD-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.84
Rot. Bonds5

About CID 135077004

CID 135077004 (PubChem CID 135077004) has the molecular formula C14H28CuLiO and a molecular weight of 282.86 g/mol.

Molecular Properties

Compound NameCID 135077004
PubChem CID135077004
Molecular FormulaC14H28CuLiO
Molecular Weight282.86 g/mol
Exact Mass282.16
IUPAC Name—
SMILESCCCCC.CCCCC1C=C(O)CC1.[Cu].[Li]
InChIInChI=1S/C9H16O.C5H12.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-5-4-2;;/h7-8,10H,2-6H2,1H3;3-5H2,1-2H3;;
InChIKeyBBLNMMBALVRUMD-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135077004?
The IUPAC name of CID 135077004 (CID 135077004) is not available.
What is the SMILES notation for CID 135077004?
The canonical SMILES for CID 135077004 is CCCCC.CCCCC1C=C(O)CC1.[Cu].[Li].
What is the InChIKey of CID 135077004?
The InChIKey is BBLNMMBALVRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C5H12.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-5-4-2;;/h7-8,10H,2-6H2,1H3;3-5H2,1-2H3;;.
What are the key properties of CID 135077004?
CID 135077004 has a molecular weight of 282.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135077004 is sourced from PubChem (CID 135077004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).