1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene

C10H14O — CID 141339018

IUPAC1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene
SMILESCC12CCC(C3=C1O3)C2(C)C
InChIInChI=1S/C10H14O/c1-9(2)6-4-5-10(9,3)8-7(6)11-8/h6H,4-5H2,1-3H3
InChIKeyGYKGWRPVGURKJG-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.68
Rot. Bonds

About 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene

1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene (PubChem CID 141339018) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene.

Molecular Properties

Compound Name1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene
PubChem CID141339018
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene
SMILESCC12CCC(C3=C1O3)C2(C)C
InChIInChI=1S/C10H14O/c1-9(2)6-4-5-10(9,3)8-7(6)11-8/h6H,4-5H2,1-3H3
InChIKeyGYKGWRPVGURKJG-UHFFFAOYSA-N
XLogP2.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene?
The IUPAC name of 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene (CID 141339018) is 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene.
What is the SMILES notation for 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene?
The canonical SMILES for 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene is CC12CCC(C3=C1O3)C2(C)C.
What is the InChIKey of 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene?
The InChIKey is GYKGWRPVGURKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-9(2)6-4-5-10(9,3)8-7(6)11-8/h6H,4-5H2,1-3H3.
What are the key properties of 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene?
1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene has a molecular weight of 150.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene is sourced from PubChem (CID 141339018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).