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

C15H26O2 — CID 101222298

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

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

(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol (PubChem CID 101222298) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol.

Molecular Properties

Compound Name(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol
PubChem CID101222298
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol
SMILESC[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@@H](C)CC[C@@]13O
InChIInChI=1S/C15H26O2/c1-10-5-6-12-9-15(17-13(12,3)4)11(2)7-8-14(10,15)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15-/m0/s1
InChIKeyYHULKUDNJIFIDQ-OBORUHMCSA-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,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol with MolForge

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Related Compounds

(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
CID 25001994
(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol
CID 15894465
(2S,6R)-2,6-dimethyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-ol
CID 68219371
(1S,5S,8R,9R)-8-methyl-4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-8-ol
CID 157258818
2,6-Dimethyl-9-(propan-2-yl)-1-oxaspiro[4.4]nonan-6-ol
CID 71429339
8-(2-Hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
CID 74384806
(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
CID 101222299
(1S,2R,5R,6R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol
CID 101222300
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol
CID 101222301
7-(2-Hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-3a,8a-diol
CID 101993111
(1S,2R,5R,6R,8R)-1,5,9-trimethyl-11-oxatricyclo[6.3.2.02,6]tridecan-9-ol
CID 102258985
(1R,3aR,4S,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-3a,8a-diol
CID 162940182

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol?
The IUPAC name of (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol (CID 101222298) is (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol.
What is the SMILES notation for (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol?
The canonical SMILES for (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol is C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@@H](C)CC[C@@]13O.
What is the InChIKey of (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol?
The InChIKey is YHULKUDNJIFIDQ-OBORUHMCSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-12-9-15(17-13(12,3)4)11(2)7-8-14(10,15)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15-/m0/s1.
What are the key properties of (1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol?
(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-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,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol is sourced from PubChem (CID 101222298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).