[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol

C15H26O2 — CID 132551470

IUPAC[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
SMILESC[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12O[C@@]3(C)CO
InChIInChI=1S/C15H26O2/c1-11-5-4-7-13(2)8-6-12-9-15(11,13)17-14(12,3)10-16/h11-12,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15-/m0/s1
InChIKeyGVPCSVMBWVXKEZ-AICCOOGYSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds1

About [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol

[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol (PubChem CID 132551470) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
PubChem CID132551470
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
SMILESC[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12O[C@@]3(C)CO
InChIInChI=1S/C15H26O2/c1-11-5-4-7-13(2)8-6-12-9-15(11,13)17-14(12,3)10-16/h11-12,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15-/m0/s1
InChIKeyGVPCSVMBWVXKEZ-AICCOOGYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol 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
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,2S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
CID 5321537
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(1,2-dimethylcyclopentyl)methanol
CID 544196
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
CID 130151002
[(6S,7S)-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]methanol
CID 131857309
2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-2-ol
CID 18442256
[2-(hydroxymethyl)-3,4-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 139754074
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]
CID 122365913

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol?
The IUPAC name of [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol (CID 132551470) is [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol.
What is the SMILES notation for [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol?
The canonical SMILES for [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol is C[C@H]1CCC[C@@]2(C)CC[C@@H]3C[C@]12O[C@@]3(C)CO.
What is the InChIKey of [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol?
The InChIKey is GVPCSVMBWVXKEZ-AICCOOGYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-4-7-13(2)8-6-12-9-15(11,13)17-14(12,3)10-16/h11-12,16H,4-10H2,1-3H3/t11-,12+,13-,14-,15-/m0/s1.
What are the key properties of [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol?
[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol is sourced from PubChem (CID 132551470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).