(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol

C15H26O3 — CID 25001994

IUPAC(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
SMILESCC(C)(O)[C@@]12CC[C@@](C)(O)[C@H]3CC[C@@](C)(O1)[C@H]3C2
InChIInChI=1S/C15H26O3/c1-12(2,16)15-8-7-13(3,17)10-5-6-14(4,18-15)11(10)9-15/h10-11,16-17H,5-9H2,1-4H3/t10-,11-,13+,14+,15-/m0/s1
InChIKeyJVGWZOWLUZFMHN-ADNNSEGNSA-N
MW254.37 g/mol
LogP2.25
Rot. Bonds1

About (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol

(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol (PubChem CID 25001994) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol.

Molecular Properties

Compound Name(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
PubChem CID25001994
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol
SMILESCC(C)(O)[C@@]12CC[C@@](C)(O)[C@H]3CC[C@@](C)(O1)[C@H]3C2
InChIInChI=1S/C15H26O3/c1-12(2,16)15-8-7-13(3,17)10-5-6-14(4,18-15)11(10)9-15/h10-11,16-17H,5-9H2,1-4H3/t10-,11-,13+,14+,15-/m0/s1
InChIKeyJVGWZOWLUZFMHN-ADNNSEGNSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol with MolForge

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Launch Full Analysis

Related Compounds

7alpha,10alpha-Epoxyguaiane-4alpha,11-diol
CID 102519761
Cyclonerodiol oxide
CID 54753974
Orientalol E
CID 637282
(1S,2S,5R,6S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 11402170
(1R,2S,3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 14336612
1,5-Dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5,7-diol
CID 78200744
(1R,2R,5R,6R,7S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 53235938
Epicyclonerodiol oxide
CID 14336611
(1R,2R,5R,6R,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 53235937
(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 138983390
Isocyclonerodiol Oxide
CID 170989464
(1S,2S,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-5-ol
CID 101222298

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol?
The IUPAC name of (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol (CID 25001994) is (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol.
What is the SMILES notation for (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol?
The canonical SMILES for (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol is CC(C)(O)[C@@]12CC[C@@](C)(O)[C@H]3CC[C@@](C)(O1)[C@H]3C2.
What is the InChIKey of (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol?
The InChIKey is JVGWZOWLUZFMHN-ADNNSEGNSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2,16)15-8-7-13(3,17)10-5-6-14(4,18-15)11(10)9-15/h10-11,16-17H,5-9H2,1-4H3/t10-,11-,13+,14+,15-/m0/s1.
What are the key properties of (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol?
(1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol has a molecular weight of 254.37 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8S,10S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.04,10]undecan-5-ol is sourced from PubChem (CID 25001994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).