1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene

C10H15Cl — CID 68631430

IUPAC1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C
InChIInChI=1S/C10H15Cl/c1-6-7(2)9(11)10(4,5)8(6)3/h1-5H3
InChIKeyVOZDGKXXCNBUFT-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.88
Rot. Bonds

About 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene

1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 68631430) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID68631430
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C(Cl)=C1C
InChIInChI=1S/C10H15Cl/c1-6-7(2)9(11)10(4,5)8(6)3/h1-5H3
InChIKeyVOZDGKXXCNBUFT-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene (CID 68631430) is 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene is CC1=C(C)C(C)(C)C(Cl)=C1C.
What is the InChIKey of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is VOZDGKXXCNBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-6-7(2)9(11)10(4,5)8(6)3/h1-5H3.
What are the key properties of 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene?
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 170.68 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 68631430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).