(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene

C11H18 — CID 13419789

IUPAC(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
SMILESC1C[C@@H]2C[C@@H]3CCC[C@@H]3[C@@H]2C1
InChIInChI=1S/C11H18/c1-3-8-7-9-4-2-6-11(9)10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKeyZJLJFSYHUDYXIE-DTIDVZRVSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene

(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene (PubChem CID 13419789) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
PubChem CID13419789
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
SMILESC1C[C@@H]2C[C@@H]3CCC[C@@H]3[C@@H]2C1
InChIInChI=1S/C11H18/c1-3-8-7-9-4-2-6-11(9)10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKeyZJLJFSYHUDYXIE-DTIDVZRVSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The IUPAC name of (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene (CID 13419789) is (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene.
What is the SMILES notation for (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The canonical SMILES for (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene is C1C[C@@H]2C[C@@H]3CCC[C@@H]3[C@@H]2C1.
What is the InChIKey of (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The InChIKey is ZJLJFSYHUDYXIE-DTIDVZRVSA-N. The full InChI is InChI=1S/C11H18/c1-3-8-7-9-4-2-6-11(9)10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+.
What are the key properties of (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
(3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bS,6aS,7aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene is sourced from PubChem (CID 13419789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).