2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol

C15H26O3 — CID 11507123

IUPAC2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
SMILESCC(C)C1CC23OC1(O)CC(C)(O)C2CCC3C
InChIInChI=1S/C15H26O3/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,16-17H,5-8H2,1-4H3
InChIKeyKWRPUMMZLSUEBO-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.31
Rot. Bonds1

About 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol

2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol (PubChem CID 11507123) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol.

Molecular Properties

Compound Name2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
PubChem CID11507123
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol
SMILESCC(C)C1CC23OC1(O)CC(C)(O)C2CCC3C
InChIInChI=1S/C15H26O3/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,16-17H,5-8H2,1-4H3
InChIKeyKWRPUMMZLSUEBO-UHFFFAOYSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol with MolForge

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Launch Full Analysis

Related Compounds

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CID 14240392
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CID 3559861
(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
CID 129010442
7,10-Epoxy-10-hydroxysalvianane
CID 91747154

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The IUPAC name of 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol (CID 11507123) is 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol.
What is the SMILES notation for 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The canonical SMILES for 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol is CC(C)C1CC23OC1(O)CC(C)(O)C2CCC3C.
What is the InChIKey of 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
The InChIKey is KWRPUMMZLSUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)11-7-14-10(3)5-6-12(14)13(4,16)8-15(11,17)18-14/h9-12,16-17H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol?
2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol has a molecular weight of 254.37 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecane-6,8-diol is sourced from PubChem (CID 11507123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).