(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol

C15H26O2 — CID 162912305

IUPAC(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
SMILESC[C@H]1CCC2C3[C@@H](CC[C@@]2(C)O)C(C)(C)O[C@@H]31
InChIInChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11?,12?,13+,15+/m0/s1
InChIKeyADBBBTOFKUSIAE-BSHIKKFHSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds

About (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol

(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol (PubChem CID 162912305) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol.

Molecular Properties

Compound Name(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
PubChem CID162912305
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
SMILESC[C@H]1CCC2C3[C@@H](CC[C@@]2(C)O)C(C)(C)O[C@@H]31
InChIInChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11?,12?,13+,15+/m0/s1
InChIKeyADBBBTOFKUSIAE-BSHIKKFHSA-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 (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol with MolForge

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Related Compounds

(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
(1S,4R,7S,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
CID 22297710
(1R,2S,4aR,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 21140311
(1R,2R,4aR,5S,8S,8aR)-8-(2-hydroxypropan-2-yl)-2,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 124857665
(1aR,4S,4aS,7R,7aS,7bR)-4-hydroxy-1,1,4-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulene-7-carboxylic acid
CID 177471533
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
1-[(3S,3aS,5R,8R,8aS)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]ethanone
CID 11447439
(9R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
CID 146157977
1,7-bis(hydroxymethyl)-1,4-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 163064866
(1R,4R,14R)-4,8,12-trimethyl-2,13-dioxatricyclo[7.4.1.05,14]tetradecane-12,14-diol
CID 176680077
2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
CID 130146858
(1aR,4R,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 42433551

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The IUPAC name of (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol (CID 162912305) is (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol.
What is the SMILES notation for (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The canonical SMILES for (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol is C[C@H]1CCC2C3[C@@H](CC[C@@]2(C)O)C(C)(C)O[C@@H]31.
What is the InChIKey of (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
The InChIKey is ADBBBTOFKUSIAE-BSHIKKFHSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-6-11-12-10(7-8-15(11,4)16)14(2,3)17-13(9)12/h9-13,16H,5-8H2,1-4H3/t9-,10+,11?,12?,13+,15+/m0/s1.
What are the key properties of (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol?
(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]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 (1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol is sourced from PubChem (CID 162912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).