2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene

C13H20 — CID 14009268

IUPAC2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene
SMILESC1CCC2CC3CCCCC3=C2C1
InChIInChI=1S/C13H20/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-11H,1-9H2
InChIKeyMKXAZJQDNHEIDE-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.07
Rot. Bonds

About 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene

2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene (PubChem CID 14009268) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene.

Molecular Properties

Compound Name2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene
PubChem CID14009268
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene
SMILESC1CCC2CC3CCCCC3=C2C1
InChIInChI=1S/C13H20/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-11H,1-9H2
InChIKeyMKXAZJQDNHEIDE-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.07
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 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene?
The IUPAC name of 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene (CID 14009268) is 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene.
What is the SMILES notation for 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene?
The canonical SMILES for 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene is C1CCC2CC3CCCCC3=C2C1.
What is the InChIKey of 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene?
The InChIKey is MKXAZJQDNHEIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-11H,1-9H2.
What are the key properties of 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene?
2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene has a molecular weight of 176.30 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-fluorene is sourced from PubChem (CID 14009268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).