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

C15H26O2 — CID 15894465

IUPAC(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol
SMILESC[C@H]1CC[C@]2(O)C[C@@]3(OC2(C)C)[C@@H]1CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-10-7-8-14(16)9-15(17-13(14,3)4)11(2)5-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1
InChIKeyQGLGFCMSGROVSC-QIRZIZBZSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds

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

(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol (PubChem CID 15894465) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol.

Molecular Properties

Compound Name(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol
PubChem CID15894465
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol
SMILESC[C@H]1CC[C@]2(O)C[C@@]3(OC2(C)C)[C@@H]1CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-10-7-8-14(16)9-15(17-13(14,3)4)11(2)5-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1
InChIKeyQGLGFCMSGROVSC-QIRZIZBZSA-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

Analyze (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol with MolForge

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Related Compounds

2H-3,9a-Methanocyclopent(b)oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9S,9aS)-
CID 12302138
Liguloxide
CID 6429300
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 10955170
Guaioxide
CID 12302135
Sinenofuranol
CID 91753767
(2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 88381
(6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl)methanol
CID 5321323
CID 139584090
CID 139584090
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
CID 91746519
Epi-ligulyl oxide
CID 91748045
Bulnesoxid
CID 12302136
Liguloxide isomer
CID 91751352

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The IUPAC name of (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol (CID 15894465) is (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol.
What is the SMILES notation for (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The canonical SMILES for (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol is C[C@H]1CC[C@]2(O)C[C@@]3(OC2(C)C)[C@@H]1CC[C@@H]3C.
What is the InChIKey of (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
The InChIKey is QGLGFCMSGROVSC-QIRZIZBZSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-7-8-14(16)9-15(17-13(14,3)4)11(2)5-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1.
What are the key properties of (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol?
(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-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 (1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol is sourced from PubChem (CID 15894465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).