(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol

C15H26O2 — CID 91750030

IUPAC(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
SMILESCC(C)C1CC[C@@]2(C)C1C1OC2(O)CCC1C
InChIInChI=1S/C15H26O2/c1-9(2)11-6-7-14(4)12(11)13-10(3)5-8-15(14,16)17-13/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15?/m0/s1
InChIKeyISDUGTJYWDYHCV-BPHCLYMKSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds1

About (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol

(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol (PubChem CID 91750030) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol.

Molecular Properties

Compound Name(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
PubChem CID91750030
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
SMILESCC(C)C1CC[C@@]2(C)C1C1OC2(O)CCC1C
InChIInChI=1S/C15H26O2/c1-9(2)11-6-7-14(4)12(11)13-10(3)5-8-15(14,16)17-13/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15?/m0/s1
InChIKeyISDUGTJYWDYHCV-BPHCLYMKSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol with MolForge

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Related Compounds

2,8-Dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 163007589
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,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
(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-ol
CID 134916437
(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,5,8-triol
CID 44512747
(1S,2S,5S,6R,7S,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,5,8-triol
CID 102420149
7,10-Epoxy-10-hydroxysalvianane
CID 91747154
1,5-Epoxysalvialan-4alpha-ol
CID 91747405
10-Hydroxy-7,10-epoxysalvialane
CID 91750950
(2S,5R,6R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane-1,8-diol
CID 102479286

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol?
The IUPAC name of (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol (CID 91750030) is (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol.
What is the SMILES notation for (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol?
The canonical SMILES for (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol is CC(C)C1CC[C@@]2(C)C1C1OC2(O)CCC1C.
What is the InChIKey of (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol?
The InChIKey is ISDUGTJYWDYHCV-BPHCLYMKSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)11-6-7-14(4)12(11)13-10(3)5-8-15(14,16)17-13/h9-13,16H,5-8H2,1-4H3/t10?,11?,12?,13?,14-,15?/m0/s1.
What are the key properties of (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol?
(2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol is sourced from PubChem (CID 91750030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).