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

C24H35ClO — CID 22286649

IUPAC3-chloro-2,2-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)OCCC2Cl)=C1C
InChIInChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)24(19(25)11-12-26-24)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3
InChIKeyRHLWXKZKEJGNEN-UHFFFAOYSA-N
MW375.00 g/mol
LogP7.14
Rot. Bonds2

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

3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 22286649) has the molecular formula C24H35ClO and a molecular weight of 375.00 g/mol. Its IUPAC name is 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID22286649
Molecular FormulaC24H35ClO
Molecular Weight375.00 g/mol
Exact Mass374.24
IUPAC Name3-chloro-2,2-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)OCCC2Cl)=C1C
InChIInChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)24(19(25)11-12-26-24)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3
InChIKeyRHLWXKZKEJGNEN-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.00
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane with MolForge

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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-Chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286648
2-Chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913139
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87933258
2,2-Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 175326473
2,2-Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 19382564
2-Chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 87913140

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The IUPAC name of 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (CID 22286649) is 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 3-chloro-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)OCCC2Cl)=C1C.
What is the InChIKey of 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is RHLWXKZKEJGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)24(19(25)11-12-26-24)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3.
What are the key properties of 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 375.00 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is sourced from PubChem (CID 22286649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).