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

C25H38OSm — CID 87913141

IUPAC2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C.[Sm]
InChIInChI=1S/C25H38O.Sm/c1-14-16(3)21(23(7,8)18(14)5)20-12-13-26-25(20,11)22-17(4)15(2)19(6)24(22,9)10;/h20H,12-13H2,1-11H3;
InChIKeyNPFDWONFCOYDGE-UHFFFAOYSA-N
MW504.94 g/mol
LogP7.17
Rot. Bonds2

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

2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (PubChem CID 87913141) has the molecular formula C25H38OSm and a molecular weight of 504.94 g/mol. Its IUPAC name is 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.

Molecular Properties

Compound Name2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
PubChem CID87913141
Molecular FormulaC25H38OSm
Molecular Weight504.94 g/mol
Exact Mass506.21
IUPAC Name2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C.[Sm]
InChIInChI=1S/C25H38O.Sm/c1-14-16(3)21(23(7,8)18(14)5)20-12-13-26-25(20,11)22-17(4)15(2)19(6)24(22,9)10;/h20H,12-13H2,1-11H3;
InChIKeyNPFDWONFCOYDGE-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The IUPAC name of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (CID 87913141) is 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.
What is the SMILES notation for 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The canonical SMILES for 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is CC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C.[Sm].
What is the InChIKey of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The InChIKey is NPFDWONFCOYDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O.Sm/c1-14-16(3)21(23(7,8)18(14)5)20-12-13-26-25(20,11)22-17(4)15(2)19(6)24(22,9)10;/h20H,12-13H2,1-11H3;.
What are the key properties of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium has a molecular weight of 504.94 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is sourced from PubChem (CID 87913141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).