CID 134992249

C17H16Cl2Zr — CID 134992249

IUPAC—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)[C]1[CH][CH][C]2C=CC=C[C]21.Cl[Zr]Cl
InChIInChI=1S/C17H16.2ClH.Zr/c1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-12H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySKGOWMPCOOHHQC-UHFFFAOYSA-L
MW382.45 g/mol
LogP5.07
Rot. Bonds2

About CID 134992249

CID 134992249 (PubChem CID 134992249) has the molecular formula C17H16Cl2Zr and a molecular weight of 382.45 g/mol.

Molecular Properties

Compound NameCID 134992249
PubChem CID134992249
Molecular FormulaC17H16Cl2Zr
Molecular Weight382.45 g/mol
Exact Mass379.97
IUPAC Name—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)[C]1[CH][CH][C]2C=CC=C[C]21.Cl[Zr]Cl
InChIInChI=1S/C17H16.2ClH.Zr/c1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-12H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySKGOWMPCOOHHQC-UHFFFAOYSA-L
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134992249?
The IUPAC name of CID 134992249 (CID 134992249) is not available.
What is the SMILES notation for CID 134992249?
The canonical SMILES for CID 134992249 is CC(C)([C]1[CH][CH][CH][CH]1)[C]1[CH][CH][C]2C=CC=C[C]21.Cl[Zr]Cl.
What is the InChIKey of CID 134992249?
The InChIKey is SKGOWMPCOOHHQC-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H16.2ClH.Zr/c1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-12H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134992249?
CID 134992249 has a molecular weight of 382.45 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134992249 is sourced from PubChem (CID 134992249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).