CID 11225844

C24H37Cl2OZr — CID 11225844

IUPAC—
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Zr]Cl
InChIInChI=1S/C14H22O.C10H15.2ClH.Zr/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-6-7(2)9(4)10(5)8(6)3;;;/h7-9,15H,1-6H3;1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyPIBQQDPQGWAQOQ-UHFFFAOYSA-L
MW503.69 g/mol
LogP8.34
Rot. Bonds

About CID 11225844

CID 11225844 (PubChem CID 11225844) has the molecular formula C24H37Cl2OZr and a molecular weight of 503.69 g/mol.

Molecular Properties

Compound NameCID 11225844
PubChem CID11225844
Molecular FormulaC24H37Cl2OZr
Molecular Weight503.69 g/mol
Exact Mass501.13
IUPAC Name—
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Zr]Cl
InChIInChI=1S/C14H22O.C10H15.2ClH.Zr/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-6-7(2)9(4)10(5)8(6)3;;;/h7-9,15H,1-6H3;1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyPIBQQDPQGWAQOQ-UHFFFAOYSA-L
XLogP8.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 58.34
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 11225844?
The IUPAC name of CID 11225844 (CID 11225844) is not available.
What is the SMILES notation for CID 11225844?
The canonical SMILES for CID 11225844 is CC(C)(C)c1cccc(C(C)(C)C)c1O.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[Zr]Cl.
What is the InChIKey of CID 11225844?
The InChIKey is PIBQQDPQGWAQOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22O.C10H15.2ClH.Zr/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-6-7(2)9(4)10(5)8(6)3;;;/h7-9,15H,1-6H3;1-5H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 11225844?
CID 11225844 has a molecular weight of 503.69 g/mol, XLogP of 8.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11225844 is sourced from PubChem (CID 11225844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).