(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid

C15H22O2 — CID 42604732

IUPAC(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
SMILESCC1(C)C[C@]2(C)CC=C[C@@]23[C@H](C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H22O2/c1-13(2)9-14(3)7-4-8-15(14)10(12(16)17)5-6-11(13)15/h4,8,10-11H,5-7,9H2,1-3H3,(H,16,17)/t10-,11-,14-,15-/m0/s1
InChIKeyYYTIOTLIOKVKTE-GVARAGBVSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds1

About (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid

(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid (PubChem CID 42604732) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
PubChem CID42604732
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid
SMILESCC1(C)C[C@]2(C)CC=C[C@@]23[C@H](C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H22O2/c1-13(2)9-14(3)7-4-8-15(14)10(12(16)17)5-6-11(13)15/h4,8,10-11H,5-7,9H2,1-3H3,(H,16,17)/t10-,11-,14-,15-/m0/s1
InChIKeyYYTIOTLIOKVKTE-GVARAGBVSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The IUPAC name of (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid (CID 42604732) is (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid.
What is the SMILES notation for (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The canonical SMILES for (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid is CC1(C)C[C@]2(C)CC=C[C@@]23[C@H](C(=O)O)CC[C@@H]13.
What is the InChIKey of (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
The InChIKey is YYTIOTLIOKVKTE-GVARAGBVSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)9-14(3)7-4-8-15(14)10(12(16)17)5-6-11(13)15/h4,8,10-11H,5-7,9H2,1-3H3,(H,16,17)/t10-,11-,14-,15-/m0/s1.
What are the key properties of (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid?
(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylic acid is sourced from PubChem (CID 42604732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).