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

C30H48OSm — CID 87933258

IUPAC2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCCCCC1=C(C2(C3=C(CCCC)C(C)=C(C)C3(C)C)CCCO2)C(C)(C)C(C)=C1C.[Sm]
InChIInChI=1S/C30H48O.Sm/c1-11-13-16-24-20(3)22(5)28(7,8)26(24)30(18-15-19-31-30)27-25(17-14-12-2)21(4)23(6)29(27,9)10;/h11-19H2,1-10H3;
InChIKeyXYTAENAPUGZINB-UHFFFAOYSA-N
MW575.07 g/mol
LogP9.26
Rot. Bonds8

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

2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (PubChem CID 87933258) has the molecular formula C30H48OSm and a molecular weight of 575.07 g/mol. Its IUPAC name is 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.

Molecular Properties

Compound Name2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
PubChem CID87933258
Molecular FormulaC30H48OSm
Molecular Weight575.07 g/mol
Exact Mass576.29
IUPAC Name2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCCCCC1=C(C2(C3=C(CCCC)C(C)=C(C)C3(C)C)CCCO2)C(C)(C)C(C)=C1C.[Sm]
InChIInChI=1S/C30H48O.Sm/c1-11-13-16-24-20(3)22(5)28(7,8)26(24)30(18-15-19-31-30)27-25(17-14-12-2)21(4)23(6)29(27,9)10;/h11-19H2,1-10H3;
InChIKeyXYTAENAPUGZINB-UHFFFAOYSA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.07
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trimethyl-[3,3,4,5-tetramethyl-2-[2-(3,4,5,5-tetramethyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)oxolan-2-yl]cyclopenta-1,4-dien-1-yl]silane
CID 22065612
2,2-Bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065614
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065618
3-Chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286648
3-Chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286649
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286650
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286651
3-Methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286654
3-Methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286655
2-Chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913139
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913141
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 87913142

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The IUPAC name of 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (CID 87933258) is 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.
What is the SMILES notation for 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The canonical SMILES for 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is CCCCC1=C(C2(C3=C(CCCC)C(C)=C(C)C3(C)C)CCCO2)C(C)(C)C(C)=C1C.[Sm].
What is the InChIKey of 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The InChIKey is XYTAENAPUGZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O.Sm/c1-11-13-16-24-20(3)22(5)28(7,8)26(24)30(18-15-19-31-30)27-25(17-14-12-2)21(4)23(6)29(27,9)10;/h11-19H2,1-10H3;.
What are the key properties of 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium has a molecular weight of 575.07 g/mol, XLogP of 9.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is sourced from PubChem (CID 87933258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).