1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

C12H20O2 — CID 12916558

IUPAC1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)C2CCC1(C)C1OC(O)CC21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3
InChIKeyKATOZYGYLINPLJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds

About 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol

1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (PubChem CID 12916558) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.

Molecular Properties

Compound Name1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
PubChem CID12916558
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1(C)C2CCC1(C)C1OC(O)CC21
InChIInChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3
InChIKeyKATOZYGYLINPLJ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The IUPAC name of 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol (CID 12916558) is 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol.
What is the SMILES notation for 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The canonical SMILES for 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is CC1(C)C2CCC1(C)C1OC(O)CC21.
What is the InChIKey of 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
The InChIKey is KATOZYGYLINPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)8-4-5-12(11,3)10-7(8)6-9(13)14-10/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol?
1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol has a molecular weight of 196.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-ol is sourced from PubChem (CID 12916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).