CID 134899727

C18H27IrO2 — CID 134899727

IUPAC—
SMILESCO[C@H]1C=CC=C[C@H]1OC.C[C]1C(C)=C(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.C8H12O2.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-9-7-5-3-4-6-8(7)10-2;/h1-5H3;3-8H,1-2H3;/t;7-,8+;
InChIKeyBORSVCBBBSUBKD-DMBVODEMSA-N
MW467.63 g/mol
LogP4.41
Rot. Bonds2

About CID 134899727

CID 134899727 (PubChem CID 134899727) has the molecular formula C18H27IrO2 and a molecular weight of 467.63 g/mol.

Molecular Properties

Compound NameCID 134899727
PubChem CID134899727
Molecular FormulaC18H27IrO2
Molecular Weight467.63 g/mol
Exact Mass468.16
IUPAC Name—
SMILESCO[C@H]1C=CC=C[C@H]1OC.C[C]1C(C)=C(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.C8H12O2.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-9-7-5-3-4-6-8(7)10-2;/h1-5H3;3-8H,1-2H3;/t;7-,8+;
InChIKeyBORSVCBBBSUBKD-DMBVODEMSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134899727?
The IUPAC name of CID 134899727 (CID 134899727) is not available.
What is the SMILES notation for CID 134899727?
The canonical SMILES for CID 134899727 is CO[C@H]1C=CC=C[C@H]1OC.C[C]1C(C)=C(C)C(C)=C1C.[Ir].
What is the InChIKey of CID 134899727?
The InChIKey is BORSVCBBBSUBKD-DMBVODEMSA-N. The full InChI is InChI=1S/C10H15.C8H12O2.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-9-7-5-3-4-6-8(7)10-2;/h1-5H3;3-8H,1-2H3;/t;7-,8+;.
What are the key properties of CID 134899727?
CID 134899727 has a molecular weight of 467.63 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899727 is sourced from PubChem (CID 134899727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).