1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene

C12H18 — CID 19033386

IUPAC1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H18/c1-7(2)12-10(5)8(3)9(4)11(12)6/h1-6H3
InChIKeyMCEJJXNBAPNTMY-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene

1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 19033386) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID19033386
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H18/c1-7(2)12-10(5)8(3)9(4)11(12)6/h1-6H3
InChIKeyMCEJJXNBAPNTMY-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene (CID 19033386) is 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is MCEJJXNBAPNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-7(2)12-10(5)8(3)9(4)11(12)6/h1-6H3.
What are the key properties of 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene?
1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 19033386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).