CID 135046638

C30H45Sm — CID 135046638

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Sm]
InChIInChI=1S/3C10H15.Sm/c3*1-6-7(2)9(4)10(5)8(6)3;/h3*1-5H3;
InChIKeyLZHLURURWJAZCN-UHFFFAOYSA-N
MW556.05 g/mol
LogP8.92
Rot. Bonds

About CID 135046638

CID 135046638 (PubChem CID 135046638) has the molecular formula C30H45Sm and a molecular weight of 556.05 g/mol.

Molecular Properties

Compound NameCID 135046638
PubChem CID135046638
Molecular FormulaC30H45Sm
Molecular Weight556.05 g/mol
Exact Mass557.27
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Sm]
InChIInChI=1S/3C10H15.Sm/c3*1-6-7(2)9(4)10(5)8(6)3;/h3*1-5H3;
InChIKeyLZHLURURWJAZCN-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.05
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135046638?
The IUPAC name of CID 135046638 (CID 135046638) is not available.
What is the SMILES notation for CID 135046638?
The canonical SMILES for CID 135046638 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Sm].
What is the InChIKey of CID 135046638?
The InChIKey is LZHLURURWJAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H15.Sm/c3*1-6-7(2)9(4)10(5)8(6)3;/h3*1-5H3;.
What are the key properties of CID 135046638?
CID 135046638 has a molecular weight of 556.05 g/mol, XLogP of 8.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046638 is sourced from PubChem (CID 135046638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).