CID 10744805

C30H51Sn — CID 10744805

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[Sn](CC(C)(C)c1ccccc1)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/2C10H19.C10H13.Sn/c2*1-8(2)10-6-4-9(3)5-7-10;1-10(2,3)9-7-5-4-6-8-9;/h2*6,8-10H,4-5,7H2,1-3H3;4-8H,1H2,2-3H3;/t2*9-,10-;;/m00../s1
InChIKeyBTMFFOGWXYRZLF-AXSBIKAKSA-N
MW530.45 g/mol
LogP9.38
Rot. Bonds7

About CID 10744805

CID 10744805 (PubChem CID 10744805) has the molecular formula C30H51Sn and a molecular weight of 530.45 g/mol.

Molecular Properties

Compound NameCID 10744805
PubChem CID10744805
Molecular FormulaC30H51Sn
Molecular Weight530.45 g/mol
Exact Mass531.30
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[Sn](CC(C)(C)c1ccccc1)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/2C10H19.C10H13.Sn/c2*1-8(2)10-6-4-9(3)5-7-10;1-10(2,3)9-7-5-4-6-8-9;/h2*6,8-10H,4-5,7H2,1-3H3;4-8H,1H2,2-3H3;/t2*9-,10-;;/m00../s1
InChIKeyBTMFFOGWXYRZLF-AXSBIKAKSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.45
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 10744805?
The IUPAC name of CID 10744805 (CID 10744805) is not available.
What is the SMILES notation for CID 10744805?
The canonical SMILES for CID 10744805 is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[Sn](CC(C)(C)c1ccccc1)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of CID 10744805?
The InChIKey is BTMFFOGWXYRZLF-AXSBIKAKSA-N. The full InChI is InChI=1S/2C10H19.C10H13.Sn/c2*1-8(2)10-6-4-9(3)5-7-10;1-10(2,3)9-7-5-4-6-8-9;/h2*6,8-10H,4-5,7H2,1-3H3;4-8H,1H2,2-3H3;/t2*9-,10-;;/m00../s1.
What are the key properties of CID 10744805?
CID 10744805 has a molecular weight of 530.45 g/mol, XLogP of 9.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10744805 is sourced from PubChem (CID 10744805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).