(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid

C15H24O3 — CID 170988534

IUPAC(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESC[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@@]12CC3(C)C
InChIInChI=1S/C15H24O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h8-12,16H,4-7H2,1-3H3,(H,17,18)/t8-,9-,10+,11-,12+,15-/m1/s1
InChIKeyKWCPDTZFODUXSJ-SCIJBCKKSA-N
MW252.35 g/mol
LogP2.53
Rot. Bonds1

About (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid

(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid (PubChem CID 170988534) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid
PubChem CID170988534
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid
SMILESC[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@@]12CC3(C)C
InChIInChI=1S/C15H24O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h8-12,16H,4-7H2,1-3H3,(H,17,18)/t8-,9-,10+,11-,12+,15-/m1/s1
InChIKeyKWCPDTZFODUXSJ-SCIJBCKKSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid with MolForge

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Related Compounds

(+)-5(6)-dihydro-6-hydroxyterrecyclic acid A
CID 21574200
11-(Hydroxymethyl)-2,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
CID 75368792
(1R,2S,7S,8S,9R)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 10955556
Calamensesquiterpinenol
CID 75250012
Britanlin C
CID 46906381
Calamensesquiterpenone
CID 46906791
(1S,2S,4R,5S,8S)-2-hydroxy-4-(hydroxymethyl)-4,8-dimethyltricyclo[6.3.1.01,5]dodecan-9-one
CID 76307860
Repraesentin C
CID 101260447
(1R,2S,4R,7R,8S,11S)-11-hydroxy-2,4,8-trimethyltricyclo[5.3.1.04,11]undecane-2-carboxylic acid
CID 162976619
(1R,2R,5R,6R,9R)-2-(hydroxymethyl)-11,11-dimethyl-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
CID 162998331
9-Hydroxy-2,6,8-trimethyltricyclo[5.3.1.01,5]undecane-6-carboxylic acid
CID 163047268
(1S,2S,5R,6S,7R,8S,9S)-9-hydroxy-2,6,8-trimethyltricyclo[5.3.1.01,5]undecane-6-carboxylic acid
CID 163047269

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The IUPAC name of (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid (CID 170988534) is (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid.
What is the SMILES notation for (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The canonical SMILES for (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid is C[C@@H]1[C@@H](O)C[C@@H]2[C@H]3CC[C@@H](C(=O)O)[C@@]12CC3(C)C.
What is the InChIKey of (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
The InChIKey is KWCPDTZFODUXSJ-SCIJBCKKSA-N. The full InChI is InChI=1S/C15H24O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h8-12,16H,4-7H2,1-3H3,(H,17,18)/t8-,9-,10+,11-,12+,15-/m1/s1.
What are the key properties of (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid?
(1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5R,6R,9R)-3-hydroxy-2,11,11-trimethyltricyclo[4.3.2.01,5]undecane-9-carboxylic acid is sourced from PubChem (CID 170988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).