(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid

C15H24O3 — CID 154699551

IUPAC(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C(=O)O)CC[C@@]13O
InChIInChI=1S/C15H24O3/c1-13(2)9-4-6-14(3)11(8-9)10(12(16)17)5-7-15(13,14)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,14+,15-/m1/s1
InChIKeyDHFKAKCKGXSZQB-YRRINSJYSA-N
MW252.35 g/mol
LogP2.67
Rot. Bonds1

About (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid

(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid (PubChem CID 154699551) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid
PubChem CID154699551
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid
SMILESCC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C(=O)O)CC[C@@]13O
InChIInChI=1S/C15H24O3/c1-13(2)9-4-6-14(3)11(8-9)10(12(16)17)5-7-15(13,14)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,14+,15-/m1/s1
InChIKeyDHFKAKCKGXSZQB-YRRINSJYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid?
The IUPAC name of (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid (CID 154699551) is (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid.
What is the SMILES notation for (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid?
The canonical SMILES for (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid is CC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C(=O)O)CC[C@@]13O.
What is the InChIKey of (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid?
The InChIKey is DHFKAKCKGXSZQB-YRRINSJYSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2)9-4-6-14(3)11(8-9)10(12(16)17)5-7-15(13,14)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,14+,15-/m1/s1.
What are the key properties of (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid?
(1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,7R,8S)-7-hydroxy-8,11,11-trimethyltricyclo[5.3.1.03,8]undecane-4-carboxylic acid is sourced from PubChem (CID 154699551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).