(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol

C15H26O2 — CID 91747154

IUPAC(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol
SMILESCC(C)[C@H]1CC[C@@]2(C)C1C[C@@]1(C)CCC2(O)O1
InChIInChI=1S/C15H26O2/c1-10(2)11-5-6-14(4)12(11)9-13(3)7-8-15(14,16)17-13/h10-12,16H,5-9H2,1-4H3/t11-,12?,13-,14+,15?/m1/s1
InChIKeyWJRIMKOXIVMKTM-YPHRVZEWSA-N
MW238.37 g/mol
LogP3.34
Rot. Bonds1

About (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol

(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol (PubChem CID 91747154) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol.

Molecular Properties

Compound Name(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol
PubChem CID91747154
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol
SMILESCC(C)[C@H]1CC[C@@]2(C)C1C[C@@]1(C)CCC2(O)O1
InChIInChI=1S/C15H26O2/c1-10(2)11-5-6-14(4)12(11)9-13(3)7-8-15(14,16)17-13/h10-12,16H,5-9H2,1-4H3/t11-,12?,13-,14+,15?/m1/s1
InChIKeyWJRIMKOXIVMKTM-YPHRVZEWSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol with MolForge

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Related Compounds

(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
7,10-Epoxy-10-methoxysalvialane
CID 91747505
10-Hydroxy-6,10-epoxy-7(14)-isodaucane
CID 91750030
10-Hydroxy-7,10-epoxysalvialane
CID 91750950
6-Ethyl-8-hydroperoxysulfanyloxy-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane
CID 58945437
6-Ethyl-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 58945442
(1S,5R)-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol
CID 10487361
2,6-Dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
CID 11507123
2,6-Dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 11615628
(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 11770523
(1R,5S,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undecan-7-ol
CID 11953557
5-Propan-2-yl-8-oxabicyclo[3.2.1]octan-1-ol
CID 15828405

Frequently Asked Questions

What is the IUPAC name of (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The IUPAC name of (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol (CID 91747154) is (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol.
What is the SMILES notation for (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The canonical SMILES for (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol is CC(C)[C@H]1CC[C@@]2(C)C1C[C@@]1(C)CCC2(O)O1.
What is the InChIKey of (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The InChIKey is WJRIMKOXIVMKTM-YPHRVZEWSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)11-5-6-14(4)12(11)9-13(3)7-8-15(14,16)17-13/h10-12,16H,5-9H2,1-4H3/t11-,12?,13-,14+,15?/m1/s1.
What are the key properties of (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
(2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol is sourced from PubChem (CID 91747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).