5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C16H22 — CID 175842772

IUPAC5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILES[2H]C(C1C=CC=C1)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H22/c1-11-12(2)14(4)16(5,13(11)3)10-15-8-6-7-9-15/h6-9,15H,10H2,1-5H3/i10D
InChIKeyLMIIEBVBCWOJHN-MMIHMFRQSA-N
MW215.36 g/mol
LogP4.81
Rot. Bonds2

About 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene

5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 175842772) has the molecular formula C16H22 and a molecular weight of 215.36 g/mol. Its IUPAC name is 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID175842772
Molecular FormulaC16H22
Molecular Weight215.36 g/mol
Exact Mass215.18
IUPAC Name5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILES[2H]C(C1C=CC=C1)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H22/c1-11-12(2)14(4)16(5,13(11)3)10-15-8-6-7-9-15/h6-9,15H,10H2,1-5H3/i10D
InChIKeyLMIIEBVBCWOJHN-MMIHMFRQSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 175842772) is 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene is [2H]C(C1C=CC=C1)C1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is LMIIEBVBCWOJHN-MMIHMFRQSA-N. The full InChI is InChI=1S/C16H22/c1-11-12(2)14(4)16(5,13(11)3)10-15-8-6-7-9-15/h6-9,15H,10H2,1-5H3/i10D.
What are the key properties of 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 215.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopenta-2,4-dien-1-yl(deuterio)methyl]-1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 175842772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).