(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene

C15H24 — CID 23242103

IUPAC(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene
SMILESC=C1CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@]132
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3/t12-,14+,15-/m0/s1
InChIKeyLTMKWDWWHXRNMO-CFVMTHIKSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene

(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene (PubChem CID 23242103) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene.

Molecular Properties

Compound Name(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene
PubChem CID23242103
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene
SMILESC=C1CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@]132
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3/t12-,14+,15-/m0/s1
InChIKeyLTMKWDWWHXRNMO-CFVMTHIKSA-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 (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene 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 (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene?
The IUPAC name of (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene (CID 23242103) is (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene.
What is the SMILES notation for (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene?
The canonical SMILES for (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene is C=C1CCC[C@]2(C)CC[C@H]3C(C)(C)C[C@]132.
What is the InChIKey of (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene?
The InChIKey is LTMKWDWWHXRNMO-CFVMTHIKSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3/t12-,14+,15-/m0/s1.
What are the key properties of (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene?
(2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene 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 (2aS,4aR,8aR)-2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene is sourced from PubChem (CID 23242103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).