(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene

C15H24 — CID 11593671

IUPAC(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
SMILES[2H]C[C@]12CCC[C@]13CC[C@H](C)[C@]3(C)C=C2C
InChIInChI=1S/C15H24/c1-11-6-9-15-8-5-7-13(15,3)12(2)10-14(11,15)4/h10-11H,5-9H2,1-4H3/t11-,13+,14-,15-/m0/s1/i3D
InChIKeyQZXSMBCVXRYQLP-JQHBLSEWSA-N
MW205.36 g/mol
LogP4.56
Rot. Bonds1

About (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene

(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene (PubChem CID 11593671) has the molecular formula C15H24 and a molecular weight of 205.36 g/mol. Its IUPAC name is (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene.

Molecular Properties

Compound Name(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
PubChem CID11593671
Molecular FormulaC15H24
Molecular Weight205.36 g/mol
Exact Mass205.19
IUPAC Name(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
SMILES[2H]C[C@]12CCC[C@]13CC[C@H](C)[C@]3(C)C=C2C
InChIInChI=1S/C15H24/c1-11-6-9-15-8-5-7-13(15,3)12(2)10-14(11,15)4/h10-11H,5-9H2,1-4H3/t11-,13+,14-,15-/m0/s1/i3D
InChIKeyQZXSMBCVXRYQLP-JQHBLSEWSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene 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

(1R,2S,5R,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CID 162984216
(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
CID 20832557
(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
CID 11805885
[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
CID 163000428
CID 18798545
CID 18798545
(7aS)-3,3a,7a-trimethyl-7-methylidene-1,2,3,4,5,6-hexahydroindene
CID 142040575
(1R,6S,10R)-5,5,9,10-tetramethyltricyclo[4.3.3.01,6]dodec-8-en-7-one
CID 15966563
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
2,3-dimethylspiro[3.3]hept-1-ene
CID 123913952
(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
CID 14239548
(1R,4S)-1,2,4,7,7-pentamethylbicyclo[2.2.1]hept-2-ene
CID 11768906
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene?
The IUPAC name of (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene (CID 11593671) is (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene.
What is the SMILES notation for (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene?
The canonical SMILES for (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene is [2H]C[C@]12CCC[C@]13CC[C@H](C)[C@]3(C)C=C2C.
What is the InChIKey of (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene?
The InChIKey is QZXSMBCVXRYQLP-JQHBLSEWSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-9-15-8-5-7-13(15,3)12(2)10-14(11,15)4/h10-11H,5-9H2,1-4H3/t11-,13+,14-,15-/m0/s1/i3D.
What are the key properties of (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene?
(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene has a molecular weight of 205.36 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene is sourced from PubChem (CID 11593671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).