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

C24H35ClO — CID 87913140

IUPAC2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(Cl)C2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)19-11-12-26-24(19,25)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3
InChIKeyMAFNSFVVMVJOGM-UHFFFAOYSA-N
MW375.00 g/mol
LogP7.34
Rot. Bonds2

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

2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 87913140) has the molecular formula C24H35ClO and a molecular weight of 375.00 g/mol. Its IUPAC name is 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID87913140
Molecular FormulaC24H35ClO
Molecular Weight375.00 g/mol
Exact Mass374.24
IUPAC Name2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2CCOC2(Cl)C2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)19-11-12-26-24(19,25)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3
InChIKeyMAFNSFVVMVJOGM-UHFFFAOYSA-N
XLogP7.34
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 ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The IUPAC name of 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (CID 87913140) is 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is CC1=C(C)C(C)(C)C(C2CCOC2(Cl)C2=C(C)C(C)=C(C)C2(C)C)=C1C.
What is the InChIKey of 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is MAFNSFVVMVJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClO/c1-13-15(3)20(22(7,8)17(13)5)19-11-12-26-24(19,25)21-16(4)14(2)18(6)23(21,9)10/h19H,11-12H2,1-10H3.
What are the key properties of 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 375.00 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is sourced from PubChem (CID 87913140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).