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

C15H26O2 — CID 101222299

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

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

(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol (PubChem CID 101222299) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
PubChem CID101222299
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
SMILESC[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@H]1CC[C@@]3(C)O
InChIInChI=1S/C15H26O2/c1-10-5-6-11-9-15(17-13(11,2)3)12(10)7-8-14(15,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m0/s1
InChIKeyBFXQOOGRNIWUED-SZWZKDINSA-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 (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol with MolForge

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Related Compounds

(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
CID 70887595
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
(1S,2S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
CID 5321537
carbamic acid;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 66784085
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol
CID 59921249
(1S,3S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 163194536
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
CID 162912305
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol?
The IUPAC name of (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol (CID 101222299) is (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol.
What is the SMILES notation for (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol?
The canonical SMILES for (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol is C[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@H]1CC[C@@]3(C)O.
What is the InChIKey of (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol?
The InChIKey is BFXQOOGRNIWUED-SZWZKDINSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-11-9-15(17-13(11,2)3)12(10)7-8-14(15,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m0/s1.
What are the key properties of (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol?
(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]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 (1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol is sourced from PubChem (CID 101222299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).