(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

C15H26O2 — CID 11770523

IUPAC(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)[C@H]1C[C@@]23O[C@]1(O)C[C@H](C)[C@@H]2CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyCZUWZFSXFAWSNY-CTTWBBHYSA-N
MW238.37 g/mol
LogP3.19
Rot. Bonds1

About (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (PubChem CID 11770523) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID11770523
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESCC(C)[C@H]1C[C@@]23O[C@]1(O)C[C@H](C)[C@@H]2CC[C@@H]3C
InChIInChI=1S/C15H26O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyCZUWZFSXFAWSNY-CTTWBBHYSA-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 (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol with MolForge

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Launch Full Analysis

Related Compounds

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(1S,2R,5R,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 73265282
(5S,8S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 5316215
(1S,5R,8R)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 138107810
(3s,5s,6s,8As)-3-methyl-8-methylidene-5-(propan-2-yl)octahydro-6h-3a,6-epoxyazulen-6-ol
CID 160771
(1R,2S,5S,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 91746596
(1S,2S,5S,9R)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 57336521
(1S,2S,5S,8R,9R)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
CID 101286200
(1S,2S,3R,6R,7R)-3,7-dimethyl-11-oxatricyclo[5.3.1.02,6]undecan-1-ol
CID 139255195
(1S,5S,8R)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The IUPAC name of (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) is (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.
What is the SMILES notation for (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The canonical SMILES for (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is CC(C)[C@H]1C[C@@]23O[C@]1(O)C[C@H](C)[C@@H]2CC[C@@H]3C.
What is the InChIKey of (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The InChIKey is CZUWZFSXFAWSNY-CTTWBBHYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9-13,16H,5-8H2,1-4H3/t10-,11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
(1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-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 (1S,2S,5S,6S,8R,9R)-2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is sourced from PubChem (CID 11770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).