1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one

C22H38O2 — CID 162279437

IUPAC1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CC1CCC(C(=O)CC2CCC(C(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C22H38O2/c1-21(2,3)14-16-8-9-17(12-16)19(23)13-15-7-10-18(11-15)20(24)22(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyQVKIXLXLQFTXOR-UHFFFAOYSA-N
MW334.54 g/mol
LogP5.83
Rot. Bonds5

About 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one

1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one (PubChem CID 162279437) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one
PubChem CID162279437
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)CC1CCC(C(=O)CC2CCC(C(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C22H38O2/c1-21(2,3)14-16-8-9-17(12-16)19(23)13-15-7-10-18(11-15)20(24)22(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyQVKIXLXLQFTXOR-UHFFFAOYSA-N
XLogP5.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one (CID 162279437) is 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one is CC(C)(C)CC1CCC(C(=O)CC2CCC(C(=O)C(C)(C)C)C2)C1.
What is the InChIKey of 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one?
The InChIKey is QVKIXLXLQFTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-21(2,3)14-16-8-9-17(12-16)19(23)13-15-7-10-18(11-15)20(24)22(4,5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one?
1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one has a molecular weight of 334.54 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-(2,2-dimethylpropyl)cyclopentyl]-2-oxoethyl]cyclopentyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 162279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).