(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one

C15H20O — CID 162405215

IUPAC(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one
SMILESC=C1C2=CC(=O)[C@@H](C)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C15H20O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h7,10-11H,1,5-6,8H2,2-4H3/t10-,11-,15+/m1/s1
InChIKeyCTCOVWZULLNMRG-HFAKWTLXSA-N
MW216.32 g/mol
LogP3.51
Rot. Bonds

About (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one

(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one (PubChem CID 162405215) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one.

Molecular Properties

Compound Name(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one
PubChem CID162405215
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one
SMILESC=C1C2=CC(=O)[C@@H](C)[C@@]23CC[C@H](C3)C1(C)C
InChIInChI=1S/C15H20O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h7,10-11H,1,5-6,8H2,2-4H3/t10-,11-,15+/m1/s1
InChIKeyCTCOVWZULLNMRG-HFAKWTLXSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one?
The IUPAC name of (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one (CID 162405215) is (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one.
What is the SMILES notation for (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one?
The canonical SMILES for (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one is C=C1C2=CC(=O)[C@@H](C)[C@@]23CC[C@H](C3)C1(C)C.
What is the InChIKey of (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one?
The InChIKey is CTCOVWZULLNMRG-HFAKWTLXSA-N. The full InChI is InChI=1S/C15H20O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h7,10-11H,1,5-6,8H2,2-4H3/t10-,11-,15+/m1/s1.
What are the key properties of (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one?
(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one has a molecular weight of 216.32 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-4-en-3-one is sourced from PubChem (CID 162405215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).