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

C15H26O3 — CID 101222301

IUPAC(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol
SMILESC[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@@]1(O)CC[C@@]3(C)O
InChIInChI=1S/C15H26O3/c1-10-5-6-11-9-15(18-12(11,2)3)13(4,16)7-8-14(10,15)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14+,15-/m0/s1
InChIKeyQBCJQQMMHNYFHB-JHOKLZQASA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds

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

(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol (PubChem CID 101222301) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol.

Molecular Properties

Compound Name(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol
PubChem CID101222301
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol
SMILESC[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@@]1(O)CC[C@@]3(C)O
InChIInChI=1S/C15H26O3/c1-10-5-6-11-9-15(18-12(11,2)3)13(4,16)7-8-14(10,15)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14+,15-/m0/s1
InChIKeyQBCJQQMMHNYFHB-JHOKLZQASA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1R,2R,3S,6R,7R,8S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-3,8-diol
CID 101621382
(1R,2R,5R,7R,8S)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-11-oxatricyclo[5.3.1.01,7]undecan-2-ol
CID 168289414
(1aS,4S,4aS,7S,7aR,7bS)-4,7-dimethyl-1a-propan-2-yl-3,4,4a,5,6,7b-hexahydro-2H-azuleno[7,8-b]oxirene-7,7a-diol
CID 21579115
(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
4,7-dimethyl-1a-propan-2-yl-3,4,4a,5,6,7b-hexahydro-2H-azuleno[7,8-b]oxirene-7,7a-diol
CID 73803869
(1S,2S,5R,6S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-9-ol
CID 15894465
(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol
CID 101222298
(3aS,4R,5S,6S,6aS)-4,5,6a-trimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a,6-diol
CID 10559461
(1aS,4S,4aS,7S,7bS)-4,7-dimethyl-1a-propan-2-yl-3,4,4a,5,6,7b-hexahydro-2H-azuleno[7,8-b]oxirene-7,7a-diol
CID 11139693
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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol?
The IUPAC name of (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol (CID 101222301) is (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol.
What is the SMILES notation for (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol?
The canonical SMILES for (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol is C[C@H]1CC[C@@H]2C[C@@]3(OC2(C)C)[C@@]1(O)CC[C@@]3(C)O.
What is the InChIKey of (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol?
The InChIKey is QBCJQQMMHNYFHB-JHOKLZQASA-N. The full InChI is InChI=1S/C15H26O3/c1-10-5-6-11-9-15(18-12(11,2)3)13(4,16)7-8-14(10,15)17/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13+,14+,15-/m0/s1.
What are the key properties of (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol?
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol has a molecular weight of 254.37 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane-2,5-diol is sourced from PubChem (CID 101222301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).