2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium

C24H36OSm — CID 175326473

IUPAC2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C.[Sm]
InChIInChI=1S/C24H36O.Sm/c1-14-16(3)20(22(7,8)18(14)5)24(12-11-13-25-24)21-17(4)15(2)19(6)23(21,9)10;/h11-13H2,1-10H3;
InChIKeyOHWDXTLDYGVEAX-UHFFFAOYSA-N
MW490.91 g/mol
LogP6.92
Rot. Bonds2

About 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium

2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (PubChem CID 175326473) has the molecular formula C24H36OSm and a molecular weight of 490.91 g/mol. Its IUPAC name is 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.

Molecular Properties

Compound Name2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
PubChem CID175326473
Molecular FormulaC24H36OSm
Molecular Weight490.91 g/mol
Exact Mass492.20
IUPAC Name2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C.[Sm]
InChIInChI=1S/C24H36O.Sm/c1-14-16(3)20(22(7,8)18(14)5)24(12-11-13-25-24)21-17(4)15(2)19(6)23(21,9)10;/h11-13H2,1-10H3;
InChIKeyOHWDXTLDYGVEAX-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The IUPAC name of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (CID 175326473) is 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.
What is the SMILES notation for 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The canonical SMILES for 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is CC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C.[Sm].
What is the InChIKey of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The InChIKey is OHWDXTLDYGVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O.Sm/c1-14-16(3)20(22(7,8)18(14)5)24(12-11-13-25-24)21-17(4)15(2)19(6)23(21,9)10;/h11-13H2,1-10H3;.
What are the key properties of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium has a molecular weight of 490.91 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is sourced from PubChem (CID 175326473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).