(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one

C15H22O — CID 162404696

IUPAC(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one
SMILESC=C1[C@@H]2CC(=O)[C@H](C)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,15-/m0/s1
InChIKeyRVQOGXCBZWSGSS-OXIQGZBJSA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds

About (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one

(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one (PubChem CID 162404696) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one.

Molecular Properties

Compound Name(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one
PubChem CID162404696
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one
SMILESC=C1[C@@H]2CC(=O)[C@H](C)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,15-/m0/s1
InChIKeyRVQOGXCBZWSGSS-OXIQGZBJSA-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'}

Analyze (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
CID 6427544
(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
CID 91752695
(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one
CID 162405215
1,6a-dimethyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 67388384
(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 11435040
(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 99639953
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]azanium
CID 40561855
(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 99983687
(1R,4S)-N-cyclopentyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086081
sodium 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 23666915
N-[(1S,4S)-3,3-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetamide
CID 100974416

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one?
The IUPAC name of (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one (CID 162404696) is (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one.
What is the SMILES notation for (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one?
The canonical SMILES for (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one is C=C1[C@@H]2CC(=O)[C@H](C)[C@@]23CC[C@H](C3)C1(C)C.
What is the InChIKey of (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one?
The InChIKey is RVQOGXCBZWSGSS-OXIQGZBJSA-N. The full InChI is InChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,15-/m0/s1.
What are the key properties of (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one?
(1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-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 (1R,2R,5R,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-one is sourced from PubChem (CID 162404696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).