oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane

C20H34O2 — CID 90833254

IUPACoxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane
SMILESCCC1CC2CC1C1C(CC)CC(CC)C21.O=C1CCCO1
InChIInChI=1S/C16H28.C4H6O2/c1-4-10-7-13-9-14(10)16-12(6-3)8-11(5-2)15(13)16;5-4-2-1-3-6-4/h10-16H,4-9H2,1-3H3;1-3H2
InChIKeyUZVKHJLEQZOBAW-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.06
Rot. Bonds3

About oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane

oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane (PubChem CID 90833254) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Nameoxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane
PubChem CID90833254
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameoxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane
SMILESCCC1CC2CC1C1C(CC)CC(CC)C21.O=C1CCCO1
InChIInChI=1S/C16H28.C4H6O2/c1-4-10-7-13-9-14(10)16-12(6-3)8-11(5-2)15(13)16;5-4-2-1-3-6-4/h10-16H,4-9H2,1-3H3;1-3H2
InChIKeyUZVKHJLEQZOBAW-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane?
The IUPAC name of oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane (CID 90833254) is oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane is CCC1CC2CC1C1C(CC)CC(CC)C21.O=C1CCCO1.
What is the InChIKey of oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane?
The InChIKey is UZVKHJLEQZOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28.C4H6O2/c1-4-10-7-13-9-14(10)16-12(6-3)8-11(5-2)15(13)16;5-4-2-1-3-6-4/h10-16H,4-9H2,1-3H3;1-3H2.
What are the key properties of oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane?
oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane has a molecular weight of 306.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-one;3,5,8-triethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 90833254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).