2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane

C15H28O — CID 22914089

IUPAC2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane
SMILESCC1OC(C)(C)CC1C1CCC(C)(C)C1C
InChIInChI=1S/C15H28O/c1-10-12(7-8-14(10,3)4)13-9-15(5,6)16-11(13)2/h10-13H,7-9H2,1-6H3
InChIKeySXRXHBRPVXAFBX-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.26
Rot. Bonds1

About 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane

2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane (PubChem CID 22914089) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane.

Molecular Properties

Compound Name2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane
PubChem CID22914089
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane
SMILESCC1OC(C)(C)CC1C1CCC(C)(C)C1C
InChIInChI=1S/C15H28O/c1-10-12(7-8-14(10,3)4)13-9-15(5,6)16-11(13)2/h10-13H,7-9H2,1-6H3
InChIKeySXRXHBRPVXAFBX-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 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane?
The IUPAC name of 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane (CID 22914089) is 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane.
What is the SMILES notation for 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane?
The canonical SMILES for 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane is CC1OC(C)(C)CC1C1CCC(C)(C)C1C.
What is the InChIKey of 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane?
The InChIKey is SXRXHBRPVXAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10-12(7-8-14(10,3)4)13-9-15(5,6)16-11(13)2/h10-13H,7-9H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane?
2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane 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 2,2,5-trimethyl-4-(2,3,3-trimethylcyclopentyl)oxolane is sourced from PubChem (CID 22914089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).