(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one

C15H22O — CID 134965033

IUPAC(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
SMILESCC1=CCC23C(=O)C1C(C)(C)C2CC[C@H]3C
InChIInChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(15)14(3,4)12(9)13(15)16/h7,10-12H,5-6,8H2,1-4H3/t10-,11?,12?,15?/m1/s1
InChIKeySHOXFLICWZRWHD-VQZBUAOQSA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds

About (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one

(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one (PubChem CID 134965033) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one.

Molecular Properties

Compound Name(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
PubChem CID134965033
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
SMILESCC1=CCC23C(=O)C1C(C)(C)C2CC[C@H]3C
InChIInChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(15)14(3,4)12(9)13(15)16/h7,10-12H,5-6,8H2,1-4H3/t10-,11?,12?,15?/m1/s1
InChIKeySHOXFLICWZRWHD-VQZBUAOQSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
propan-2-one;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 67218541
(1S,2R,5S,6S,7S)-2,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-6-carbaldehyde
CID 162906642
(3S,3aR,8aR)-3,5,5,8-tetramethyl-1,2,3,4,6,8a-hexahydroazulen-3a-ol
CID 11052868
(1S,3R,6S,8S,11R)-2-methoxy-5,7,7,11-tetramethyltetracyclo[6.3.0.01,3.02,6]undec-4-ene
CID 134846056
(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
CID 91747904
(1R,5R)-1,4-dimethylbicyclo[3.2.1]oct-3-en-6-one
CID 130942088
5,8-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 162994490
3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 162871416
(3S,5S)-1,3,4,4,5-pentamethylcyclopentene
CID 174108193
(4S,10R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-16-one
CID 135067288

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The IUPAC name of (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one (CID 134965033) is (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one.
What is the SMILES notation for (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The canonical SMILES for (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one is CC1=CCC23C(=O)C1C(C)(C)C2CC[C@H]3C.
What is the InChIKey of (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The InChIKey is SHOXFLICWZRWHD-VQZBUAOQSA-N. The full InChI is InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(15)14(3,4)12(9)13(15)16/h7,10-12H,5-6,8H2,1-4H3/t10-,11?,12?,15?/m1/s1.
What are the key properties of (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
(2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one has a molecular weight of 218.34 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one is sourced from PubChem (CID 134965033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).