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

C15H26O2 — CID 101032032

IUPAC(1R,2S,5R,6R,8S)-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)[C@@H]1C[C@]1(C)CC[C@@]2(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-NIFZNCRKSA-N
MW238.37 g/mol
LogP3.34
Rot. Bonds1

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

(1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol (PubChem CID 101032032) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol
PubChem CID101032032
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,5R,6R,8S)-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)[C@@H]1C[C@]1(C)CC[C@@]2(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-NIFZNCRKSA-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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The IUPAC name of (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol (CID 101032032) is (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol.
What is the SMILES notation for (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The canonical SMILES for (1R,2S,5R,6R,8S)-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)[C@@H]1C[C@]1(C)CC[C@@]2(O)O1.
What is the InChIKey of (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
The InChIKey is WJRIMKOXIVMKTM-NIFZNCRKSA-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 (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol?
(1R,2S,5R,6R,8S)-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 (1R,2S,5R,6R,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-1-ol is sourced from PubChem (CID 101032032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).