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

C15H21O2- — CID 170835690

IUPAC(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate
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)/p-1/t10-,11-,14-,15-/m0/s1
InChIKeyYYTIOTLIOKVKTE-GVARAGBVSA-M
MW233.33 g/mol
LogP2.14
Rot. Bonds1

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

(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate (PubChem CID 170835690) has the molecular formula C15H21O2- and a molecular weight of 233.33 g/mol. Its IUPAC name is (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate.

Molecular Properties

Compound Name(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate
PubChem CID170835690
Molecular FormulaC15H21O2-
Molecular Weight233.33 g/mol
Exact Mass233.15
IUPAC Name(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate
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)/p-1/t10-,11-,14-,15-/m0/s1
InChIKeyYYTIOTLIOKVKTE-GVARAGBVSA-M
XLogP2.14
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-carboxylate?
The IUPAC name of (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate (CID 170835690) is (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate.
What is the SMILES notation for (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate?
The canonical SMILES for (1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate 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-carboxylate?
The InChIKey is YYTIOTLIOKVKTE-GVARAGBVSA-M. 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)/p-1/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-carboxylate?
(1R,2R,5S,8S)-6,6,8-trimethyltricyclo[6.3.0.01,5]undec-10-ene-2-carboxylate has a molecular weight of 233.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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-carboxylate is sourced from PubChem (CID 170835690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).