1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol

C15H26O2 — CID 91704727

IUPAC1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol
SMILESCC1CCC2(O)C1CC1CCC2(C)OC1(C)C
InChIInChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3
InChIKeyOSXGCNJUBCSZET-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds

About 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol

1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol (PubChem CID 91704727) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol.

Molecular Properties

Compound Name1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol
PubChem CID91704727
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol
SMILESCC1CCC2(O)C1CC1CCC2(C)OC1(C)C
InChIInChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3
InChIKeyOSXGCNJUBCSZET-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol?
The IUPAC name of 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol (CID 91704727) is 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol.
What is the SMILES notation for 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol?
The canonical SMILES for 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol is CC1CCC2(O)C1CC1CCC2(C)OC1(C)C.
What is the InChIKey of 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol?
The InChIKey is OSXGCNJUBCSZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-8-15(16)12(10)9-11-6-7-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol?
1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-2-ol is sourced from PubChem (CID 91704727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).