(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene

C15H24 — CID 163000730

IUPAC(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene
SMILESCC1=CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C
InChIInChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h5,10,12-13H,6-9H2,1-4H3/t10-,12-,13-,15-/m1/s1
InChIKeyPDMCGNWZSCCUDM-BPGGGUHBSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene

(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene (PubChem CID 163000730) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene.

Molecular Properties

Compound Name(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene
PubChem CID163000730
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene
SMILESCC1=CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C
InChIInChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h5,10,12-13H,6-9H2,1-4H3/t10-,12-,13-,15-/m1/s1
InChIKeyPDMCGNWZSCCUDM-BPGGGUHBSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-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

(1S,4R,5R,7S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-9-ene
CID 22211718
(4,8-dimethylspiro[4.5]dec-3-en-1-yl)methanol
CID 10899526
(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene
CID 163106075
(1S,2S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
CID 21124009
(3aS,6aS)-6,6a-dimethyl-2,3,3a,4-tetrahydro-1H-pentalene
CID 101365491
(1S,2S,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane-2-carbaldehyde
CID 57060640
bis[(1S,2R,5S,7R,8R)-2-ethyl-6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undecanyl]methanone
CID 22841920
1',5',6,6-tetramethylspiro[bicyclo[3.1.0]hexane-2,6'-cyclohexene]
CID 176698525
(1S,5R,6R)-2,6-dimethyltricyclo[4.4.0.01,5]deca-2,9-diene
CID 101409828
(1S,3R,4R)-1-[2-[(1R,4aR,4bR,7S,10aR)-7-hydroxy-1,2,4b,8,8,10a-hexamethyl-4,4a,5,6,7,8a,9,10-octahydrophenanthren-1-yl]ethyl]-3,4-dimethylcyclohexane-1-carboxylic acid
CID 139407037
7-methyltricyclo[4.3.0.01,3]nonane
CID 123597135
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
CID 154157892

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene?
The IUPAC name of (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene (CID 163000730) is (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene.
What is the SMILES notation for (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene?
The canonical SMILES for (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene is CC1=CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@H]3C.
What is the InChIKey of (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene?
The InChIKey is PDMCGNWZSCCUDM-BPGGGUHBSA-N. The full InChI is InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h5,10,12-13H,6-9H2,1-4H3/t10-,12-,13-,15-/m1/s1.
What are the key properties of (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene?
(1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-2-ene is sourced from PubChem (CID 163000730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).