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

C15H24OSm — CID 174382752

IUPAC2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2(C)CCCO2)=C1C.[Sm]
InChIInChI=1S/C15H24O.Sm/c1-10-11(2)13(14(4,5)12(10)3)15(6)8-7-9-16-15;/h7-9H2,1-6H3;
InChIKeyCIAKVOZMLJRRKN-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.25
Rot. Bonds1

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

2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (PubChem CID 174382752) has the molecular formula C15H24OSm and a molecular weight of 370.72 g/mol. Its IUPAC name is 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.

Molecular Properties

Compound Name2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
PubChem CID174382752
Molecular FormulaC15H24OSm
Molecular Weight370.72 g/mol
Exact Mass372.10
IUPAC Name2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
SMILESCC1=C(C)C(C)(C)C(C2(C)CCCO2)=C1C.[Sm]
InChIInChI=1S/C15H24O.Sm/c1-10-11(2)13(14(4,5)12(10)3)15(6)8-7-9-16-15;/h7-9H2,1-6H3;
InChIKeyCIAKVOZMLJRRKN-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-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
2,2,4-Trimethyl-4-(2,3,3-trimethylcyclopenten-1-yl)oxolane
CID 22914159
(1R,4S)-2,3-ditert-butyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 59711789
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
2,2-Bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87933255
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87933258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The IUPAC name of 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium (CID 174382752) is 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium.
What is the SMILES notation for 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The canonical SMILES for 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is CC1=C(C)C(C)(C)C(C2(C)CCCO2)=C1C.[Sm].
What is the InChIKey of 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
The InChIKey is CIAKVOZMLJRRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.Sm/c1-10-11(2)13(14(4,5)12(10)3)15(6)8-7-9-16-15;/h7-9H2,1-6H3;.
What are the key properties of 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium?
2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium has a molecular weight of 370.72 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium is sourced from PubChem (CID 174382752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).