(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol

C15H26O2 — CID 12047671

IUPAC(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
SMILESC[C@H]1CC[C@@H]2[C@H]3[C@H]1OC(C)(C)[C@@H]3CC[C@@]2(C)O
InChIInChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,15+/m0/s1
InChIKeyADBBBTOFKUSIAE-CSWWBCRBSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds

About (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol

(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol (PubChem CID 12047671) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol.

Molecular Properties

Compound Name(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
PubChem CID12047671
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
SMILESC[C@H]1CC[C@@H]2[C@H]3[C@H]1OC(C)(C)[C@@H]3CC[C@@]2(C)O
InChIInChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,15+/m0/s1
InChIKeyADBBBTOFKUSIAE-CSWWBCRBSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The IUPAC name of (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol (CID 12047671) is (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol.
What is the SMILES notation for (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The canonical SMILES for (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol is C[C@H]1CC[C@@H]2[C@H]3[C@H]1OC(C)(C)[C@@H]3CC[C@@]2(C)O.
What is the InChIKey of (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The InChIKey is ADBBBTOFKUSIAE-CSWWBCRBSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11+,12-,13-,15+/m0/s1.
What are the key properties of (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
(1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7R,8R,11S,12R)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol is sourced from PubChem (CID 12047671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).