5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene

C12H19Cl — CID 141003993

IUPAC5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene
SMILESCC1=C(C)C(Cl)(C(C)C)C(C)=C1C
InChIInChI=1S/C12H19Cl/c1-7(2)12(13)10(5)8(3)9(4)11(12)6/h7H,1-6H3
InChIKeyKNGWYCBPATWDNE-UHFFFAOYSA-N
MW198.74 g/mol
LogP4.31
Rot. Bonds1

About 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene

5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene (PubChem CID 141003993) has the molecular formula C12H19Cl and a molecular weight of 198.74 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene
PubChem CID141003993
Molecular FormulaC12H19Cl
Molecular Weight198.74 g/mol
Exact Mass198.12
IUPAC Name5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene
SMILESCC1=C(C)C(Cl)(C(C)C)C(C)=C1C
InChIInChI=1S/C12H19Cl/c1-7(2)12(13)10(5)8(3)9(4)11(12)6/h7H,1-6H3
InChIKeyKNGWYCBPATWDNE-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene (CID 141003993) is 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene is CC1=C(C)C(Cl)(C(C)C)C(C)=C1C.
What is the InChIKey of 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is KNGWYCBPATWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl/c1-7(2)12(13)10(5)8(3)9(4)11(12)6/h7H,1-6H3.
What are the key properties of 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene?
5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 198.74 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4-tetramethyl-5-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 141003993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).