1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane

C10H18O — CID 15413188

IUPAC1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C)(C1)O2
InChIInChI=1S/C10H18O/c1-9(2)6-8-4-5-10(3,7-9)11-8/h8H,4-7H2,1-3H3
InChIKeySZYPQKBIKOTCSZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.74
Rot. Bonds

About 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane

1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane (PubChem CID 15413188) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane
PubChem CID15413188
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C)(C1)O2
InChIInChI=1S/C10H18O/c1-9(2)6-8-4-5-10(3,7-9)11-8/h8H,4-7H2,1-3H3
InChIKeySZYPQKBIKOTCSZ-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane (CID 15413188) is 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane is CC1(C)CC2CCC(C)(C1)O2.
What is the InChIKey of 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is SZYPQKBIKOTCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)6-8-4-5-10(3,7-9)11-8/h8H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane?
1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 154.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 15413188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).