2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene

C22H32 — CID 15417059

IUPAC2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(C(C)C)=CC2)=C1
InChIInChI=1S/C22H32/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-11,13-14,16H,12H2,1-8H3
InChIKeyDJXGSVZPYYRTAG-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.78
Rot. Bonds4

About 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene

2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 15417059) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID15417059
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(C(C)C)=CC2)=C1
InChIInChI=1S/C22H32/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-11,13-14,16H,12H2,1-8H3
InChIKeyDJXGSVZPYYRTAG-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene (CID 15417059) is 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C=CC(C(C)(C)C(C)(C)C2=CC(C(C)C)=CC2)=C1.
What is the InChIKey of 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is DJXGSVZPYYRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-15(2)17-9-11-19(13-17)21(5,6)22(7,8)20-12-10-18(14-20)16(3)4/h9-11,13-14,16H,12H2,1-8H3.
What are the key properties of 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene?
2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 296.50 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 15417059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).