(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane

C15H26O — CID 91751352

IUPAC(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
SMILESCC1CC[C@H]2C[C@@]3(OC2(C)C)C(C)CCC13
InChIInChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10?,11?,12-,13?,15+/m0/s1
InChIKeyGXMJXGUEPXEOGR-IZQYEQLFSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds

About (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane

(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane (PubChem CID 91751352) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane.

Molecular Properties

Compound Name(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
PubChem CID91751352
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
SMILESCC1CC[C@H]2C[C@@]3(OC2(C)C)C(C)CCC13
InChIInChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10?,11?,12-,13?,15+/m0/s1
InChIKeyGXMJXGUEPXEOGR-IZQYEQLFSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane?
The IUPAC name of (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane (CID 91751352) is (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane.
What is the SMILES notation for (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane?
The canonical SMILES for (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane is CC1CC[C@H]2C[C@@]3(OC2(C)C)C(C)CCC13.
What is the InChIKey of (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane?
The InChIKey is GXMJXGUEPXEOGR-IZQYEQLFSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10?,11?,12-,13?,15+/m0/s1.
What are the key properties of (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane?
(1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane has a molecular weight of 222.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane is sourced from PubChem (CID 91751352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).