(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene

C15H24 — CID 129320457

IUPAC(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
SMILESCC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
InChIKeyXVBFDFFOYTTYHD-OSFYFWSMSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene

(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene (PubChem CID 129320457) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene.

Molecular Properties

Compound Name(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
PubChem CID129320457
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene
SMILESCC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@H]12
InChIInChI=1S/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
InChIKeyXVBFDFFOYTTYHD-OSFYFWSMSA-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 (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene 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

(-)-Caryophyllene
CID 5281515
(-)-Isocaryophyllene
CID 5281522
Caryophyllene,alpha + beta mixt.
CID 5354499
(E)-2-epi-beta-caryophyllene
CID 6429274
2,5-Dimethyldicyclopentadiene
CID 3437714
Delta(6)-protoilludene
CID 15939655
alpha-Panasinsene
CID 578929
(+)-beta-Caryophyllene
CID 20831623
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
Cascarilladiene
CID 570507
(+)-2-Sterpurene
CID 10943609

Frequently Asked Questions

What is the IUPAC name of (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene?
The IUPAC name of (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene (CID 129320457) is (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene.
What is the SMILES notation for (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene?
The canonical SMILES for (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene is CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@H]12.
What is the InChIKey of (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene?
The InChIKey is XVBFDFFOYTTYHD-OSFYFWSMSA-N. The full InChI is InChI=1S/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1.
What are the key properties of (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene?
(2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene 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 (2aS,4aS,7aS,7bR)-3,6,6,7b-tetramethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene is sourced from PubChem (CID 129320457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).