2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene

C11H18 — CID 13419791

IUPAC2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
SMILESC1CC2CC3CCCC3C2C1
InChIInChI=1S/C11H18/c1-3-8-7-9-4-2-6-11(9)10(8)5-1/h8-11H,1-7H2
InChIKeyZJLJFSYHUDYXIE-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene

2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene (PubChem CID 13419791) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene.

Molecular Properties

Compound Name2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
PubChem CID13419791
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
SMILESC1CC2CC3CCCC3C2C1
InChIInChI=1S/C11H18/c1-3-8-7-9-4-2-6-11(9)10(8)5-1/h8-11H,1-7H2
InChIKeyZJLJFSYHUDYXIE-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The IUPAC name of 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene (CID 13419791) is 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene.
What is the SMILES notation for 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The canonical SMILES for 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene is C1CC2CC3CCCC3C2C1.
What is the InChIKey of 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
The InChIKey is ZJLJFSYHUDYXIE-UHFFFAOYSA-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.
What are the key properties of 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene?
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 2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene is sourced from PubChem (CID 13419791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).