2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane

C15H28O — CID 22914095

IUPAC2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane
SMILESCC1CCC(C2CCC(C)(C)OC2)C1(C)C
InChIInChI=1S/C15H28O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h11-13H,6-10H2,1-5H3
InChIKeyCHMQDMABWQHWDT-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.26
Rot. Bonds1

About 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane

2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane (PubChem CID 22914095) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane
PubChem CID22914095
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane
SMILESCC1CCC(C2CCC(C)(C)OC2)C1(C)C
InChIInChI=1S/C15H28O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h11-13H,6-10H2,1-5H3
InChIKeyCHMQDMABWQHWDT-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane?
The IUPAC name of 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane (CID 22914095) is 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane.
What is the SMILES notation for 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane?
The canonical SMILES for 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane is CC1CCC(C2CCC(C)(C)OC2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane?
The InChIKey is CHMQDMABWQHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane?
2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane has a molecular weight of 224.39 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,2,3-trimethylcyclopentyl)oxane is sourced from PubChem (CID 22914095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).