2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane

C28H44O — CID 22065614

IUPAC2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C(C)C)C(C)=C(C)C3(C)C)CCCO2)=C1C(C)C
InChIInChI=1S/C28H44O/c1-16(2)22-18(5)20(7)26(9,10)24(22)28(14-13-15-29-28)25-23(17(3)4)19(6)21(8)27(25,11)12/h16-17H,13-15H2,1-12H3
InChIKeyUSNUMLFIDAGMOS-UHFFFAOYSA-N
MW396.66 g/mol
LogP8.19
Rot. Bonds4

About 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane

2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 22065614) has the molecular formula C28H44O and a molecular weight of 396.66 g/mol. Its IUPAC name is 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID22065614
Molecular FormulaC28H44O
Molecular Weight396.66 g/mol
Exact Mass396.34
IUPAC Name2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C(C)C)C(C)=C(C)C3(C)C)CCCO2)=C1C(C)C
InChIInChI=1S/C28H44O/c1-16(2)22-18(5)20(7)26(9,10)24(22)28(14-13-15-29-28)25-23(17(3)4)19(6)21(8)27(25,11)12/h16-17H,13-15H2,1-12H3
InChIKeyUSNUMLFIDAGMOS-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane with MolForge

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

Launch Full Analysis

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(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
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
2,2,3,5,5-Pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan
CID 59012672
3-Pentoxy-1,2,3,4,4,5,5,6-octapentylcyclohexene
CID 67207334
3-Butoxy-1,2,3,4,4,5,5,6-octabutylcyclohexene
CID 68433509
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

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane?
The IUPAC name of 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane (CID 22065614) is 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane is CC1=C(C)C(C)(C)C(C2(C3=C(C(C)C)C(C)=C(C)C3(C)C)CCCO2)=C1C(C)C.
What is the InChIKey of 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is USNUMLFIDAGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O/c1-16(2)22-18(5)20(7)26(9,10)24(22)28(14-13-15-29-28)25-23(17(3)4)19(6)21(8)27(25,11)12/h16-17H,13-15H2,1-12H3.
What are the key properties of 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane?
2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 396.66 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane is sourced from PubChem (CID 22065614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).