(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

C15H24 — CID 11127402

IUPAC(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
InChIKeyCQUAYTJDLQBXCQ-NHYWBVRUSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene

(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (PubChem CID 11127402) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.

Molecular Properties

Compound Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
PubChem CID11127402
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
SMILESCC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
InChIKeyCQUAYTJDLQBXCQ-NHYWBVRUSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-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

Cholest-5-ene
CID 440663
beta-Santalene
CID 10889018
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
CID 102562
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-2-methylene-
CID 12829237
8,8,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-2,4a-methanonaphthalene
CID 595372
Neoclovene
CID 605073
Santalene (minor)
CID 6431197
(-)-alpha-Neoclovene
CID 15973057
(-)-epi-beta-Santalene
CID 11106484
Eupha-7(8),24-diene
CID 12302179
(1S,3R,6S,9S,10R,14R,17S)-3,6,14,17-tetramethyl-9-prop-1-en-2-yltetracyclo[12.3.1.03,11.06,10]octadec-11-ene
CID 139591485

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The IUPAC name of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene (CID 11127402) is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene.
What is the SMILES notation for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The canonical SMILES for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is CC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3.
What is the InChIKey of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
The InChIKey is CQUAYTJDLQBXCQ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1.
What are the key properties of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene?
(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene is sourced from PubChem (CID 11127402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).