2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene

C13H18 — CID 91529219

IUPAC2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
SMILESC1=CC2C(CC1)CC1CCC=CC12
InChIInChI=1S/C13H18/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-4,7-8,10-13H,1-2,5-6,9H2
InChIKeyMJEMJRURDSSLMK-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.55
Rot. Bonds

About 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene

2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene (PubChem CID 91529219) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene.

Molecular Properties

Compound Name2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
PubChem CID91529219
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
SMILESC1=CC2C(CC1)CC1CCC=CC12
InChIInChI=1S/C13H18/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-4,7-8,10-13H,1-2,5-6,9H2
InChIKeyMJEMJRURDSSLMK-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene?
The IUPAC name of 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene (CID 91529219) is 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene.
What is the SMILES notation for 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene?
The canonical SMILES for 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene is C1=CC2C(CC1)CC1CCC=CC12.
What is the InChIKey of 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene?
The InChIKey is MJEMJRURDSSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h3-4,7-8,10-13H,1-2,5-6,9H2.
What are the key properties of 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene?
2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene has a molecular weight of 174.29 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene is sourced from PubChem (CID 91529219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).