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

C24H36O — CID 19382564

IUPAC2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C
InChIInChI=1S/C24H36O/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
InChIKeyUNCBJAGUXKWGNB-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.92
Rot. Bonds2

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

2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 19382564) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID19382564
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C
InChIInChI=1S/C24H36O/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
InChIKeyUNCBJAGUXKWGNB-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
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?
The IUPAC name of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (CID 19382564) is 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is CC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)CCCO2)=C1C.
What is the InChIKey of 2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is UNCBJAGUXKWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O/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?
2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 340.55 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 is sourced from PubChem (CID 19382564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).