(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol

C15H26O2 — CID 15922921

IUPAC(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
SMILESC[C@@H]1[C@H]2CC[C@@H](C)[C@@]23C[C@@H](C[C@@H]1O)C(C)(C)O3
InChIInChI=1S/C15H26O2/c1-9-5-6-12-10(2)13(16)7-11-8-15(9,12)17-14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,15+/m1/s1
InChIKeyYEHOSOZZRKVZEO-BQVODAHPSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds

About (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol

(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol (PubChem CID 15922921) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol.

Molecular Properties

Compound Name(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
PubChem CID15922921
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
SMILESC[C@@H]1[C@H]2CC[C@@H](C)[C@@]23C[C@@H](C[C@@H]1O)C(C)(C)O3
InChIInChI=1S/C15H26O2/c1-9-5-6-12-10(2)13(16)7-11-8-15(9,12)17-14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,15+/m1/s1
InChIKeyYEHOSOZZRKVZEO-BQVODAHPSA-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

Analyze (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol with MolForge

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Related Compounds

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(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
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CID 162959514
(1S,3aR,4R,8R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
CID 145977616
(6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl)methanol
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Chrysothol
CID 16085188
(1S,3aS,4R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol?
The IUPAC name of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol (CID 15922921) is (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol.
What is the SMILES notation for (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol?
The canonical SMILES for (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol is C[C@@H]1[C@H]2CC[C@@H](C)[C@@]23C[C@@H](C[C@@H]1O)C(C)(C)O3.
What is the InChIKey of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol?
The InChIKey is YEHOSOZZRKVZEO-BQVODAHPSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-6-12-10(2)13(16)7-11-8-15(9,12)17-14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,15+/m1/s1.
What are the key properties of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol?
(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]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,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol is sourced from PubChem (CID 15922921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).