CID 10984516

C30H45Sm+3 — CID 10984516

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

About CID 10984516

CID 10984516 (PubChem CID 10984516) has the molecular formula C30H45Sm+3 and a molecular weight of 556.05 g/mol.

Molecular Properties

Compound NameCID 10984516
PubChem CID10984516
Molecular FormulaC30H45Sm+3
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+3]
InChIInChI=1S/3C10H15.Sm/c3*1-6-7(2)9(4)10(5)8(6)3;/h3*1-5H3;/q;;;+3
InChIKeyRCGRUDZFEBCXSB-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 10984516?
The IUPAC name of CID 10984516 (CID 10984516) is not available.
What is the SMILES notation for CID 10984516?
The canonical SMILES for CID 10984516 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+3].
What is the InChIKey of CID 10984516?
The InChIKey is RCGRUDZFEBCXSB-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;/q;;;+3.
What are the key properties of CID 10984516?
CID 10984516 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 10984516 is sourced from PubChem (CID 10984516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).