(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol

C15H26O2 — CID 91747405

IUPAC(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol
SMILESCC(C)C1CC[C@@]2(C)C3CC[C@@](C)(O)C(O3)C12
InChIInChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15+/m0/s1
InChIKeyYEBFCABPNPSILV-GPVNTSHMSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds1

About (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol

(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol (PubChem CID 91747405) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol.

Molecular Properties

Compound Name(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol
PubChem CID91747405
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol
SMILESCC(C)C1CC[C@@]2(C)C3CC[C@@](C)(O)C(O3)C12
InChIInChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15+/m0/s1
InChIKeyYEBFCABPNPSILV-GPVNTSHMSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol with MolForge

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Related Compounds

5,8-Dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
CID 345471
Daucol
CID 442363
Saniculamoid B
CID 56665185
2,8-Dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 163007589
(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
Homalomenol D
CID 101712280
rel-(1R,2S,5R,6R,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecane-1,8-diol
CID 121596197
(1S,2S,5R,6S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 11402170
Chrysothol
CID 16085188
[(1S,2R,5S,6S,7S,8S,9S)-1,8-dihydroxy-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-9-yl] acetate
CID 101937128
(1S,2R,5S,6S,7S,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 154496736
(1aR,4S,4aS,7R,7aR,7bS)-1a-(hydroxymethyl)-7-isopropyl-4a-methyl-2,3,4,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxiren-4-ol
CID 53360477

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol?
The IUPAC name of (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol (CID 91747405) is (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol.
What is the SMILES notation for (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol?
The canonical SMILES for (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol is CC(C)C1CC[C@@]2(C)C3CC[C@@](C)(O)C(O3)C12.
What is the InChIKey of (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol?
The InChIKey is YEBFCABPNPSILV-GPVNTSHMSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15+/m0/s1.
What are the key properties of (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol?
(2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol is sourced from PubChem (CID 91747405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).