(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

C16H24O3 — CID 163191124

IUPAC(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
SMILESC[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3C[C@@]12[C@@H](O)C=C3C(=O)O
InChIInChI=1S/C16H24O3/c1-9-5-6-15(4)14(2,3)11-8-16(9,15)12(17)7-10(11)13(18)19/h7,9,11-12,17H,5-6,8H2,1-4H3,(H,18,19)/t9-,11+,12+,15+,16+/m1/s1
InChIKeyOHVOURKKOMEQPG-CHIYKUSMSA-N
MW264.36 g/mol
LogP2.84
Rot. Bonds1

About (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid

(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid (PubChem CID 163191124) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
PubChem CID163191124
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
SMILESC[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3C[C@@]12[C@@H](O)C=C3C(=O)O
InChIInChI=1S/C16H24O3/c1-9-5-6-15(4)14(2,3)11-8-16(9,15)12(17)7-10(11)13(18)19/h7,9,11-12,17H,5-6,8H2,1-4H3,(H,18,19)/t9-,11+,12+,15+,16+/m1/s1
InChIKeyOHVOURKKOMEQPG-CHIYKUSMSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid?
The IUPAC name of (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid (CID 163191124) is (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid.
What is the SMILES notation for (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid?
The canonical SMILES for (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid is C[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3C[C@@]12[C@@H](O)C=C3C(=O)O.
What is the InChIKey of (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid?
The InChIKey is OHVOURKKOMEQPG-CHIYKUSMSA-N. The full InChI is InChI=1S/C16H24O3/c1-9-5-6-15(4)14(2,3)11-8-16(9,15)12(17)7-10(11)13(18)19/h7,9,11-12,17H,5-6,8H2,1-4H3,(H,18,19)/t9-,11+,12+,15+,16+/m1/s1.
What are the key properties of (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid?
(1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid has a molecular weight of 264.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,7R,10S)-10-hydroxy-2,5,6,6-tetramethyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid is sourced from PubChem (CID 163191124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).