2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one

C22H40O — CID 54040201

IUPAC2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one
SMILESCC1(C)CCCC1C1CCCCCCCCCCCCCC1=O
InChIInChI=1S/C22H40O/c1-22(2)18-14-16-20(22)19-15-12-10-8-6-4-3-5-7-9-11-13-17-21(19)23/h19-20H,3-18H2,1-2H3
InChIKeyLLTVTMRYVXZZRC-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.08
Rot. Bonds1

About 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one

2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one (PubChem CID 54040201) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one
PubChem CID54040201
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one
SMILESCC1(C)CCCC1C1CCCCCCCCCCCCCC1=O
InChIInChI=1S/C22H40O/c1-22(2)18-14-16-20(22)19-15-12-10-8-6-4-3-5-7-9-11-13-17-21(19)23/h19-20H,3-18H2,1-2H3
InChIKeyLLTVTMRYVXZZRC-UHFFFAOYSA-N
XLogP7.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one?
The IUPAC name of 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one (CID 54040201) is 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one.
What is the SMILES notation for 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one?
The canonical SMILES for 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one is CC1(C)CCCC1C1CCCCCCCCCCCCCC1=O.
What is the InChIKey of 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one?
The InChIKey is LLTVTMRYVXZZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-22(2)18-14-16-20(22)19-15-12-10-8-6-4-3-5-7-9-11-13-17-21(19)23/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one?
2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one has a molecular weight of 320.56 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopentyl)cyclopentadecan-1-one is sourced from PubChem (CID 54040201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).