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

C25H38O — CID 87913142

IUPAC2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C25H38O/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
InChIKeyLKSWQAZSIDHYDP-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.17
Rot. Bonds2

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

2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 87913142) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID87913142
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C25H38O/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
InChIKeyLKSWQAZSIDHYDP-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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?
The IUPAC name of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (CID 87913142) is 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is CC1=C(C)C(C)(C)C(C2CCOC2(C)C2=C(C)C(C)=C(C)C2(C)C)=C1C.
What is the InChIKey of 2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is LKSWQAZSIDHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O/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?
2-methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 354.58 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 is sourced from PubChem (CID 87913142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).