9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C16H20 — CID 59075885

IUPAC9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCC1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C16H20/c1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16/h3-6,8-16H,2,7H2,1H3
InChIKeyQRZHRLXJPOBGIX-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.13
Rot. Bonds2

About 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59075885) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59075885
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCC1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C16H20/c1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16/h3-6,8-16H,2,7H2,1H3
InChIKeyQRZHRLXJPOBGIX-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59075885) is 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is CCCC1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is QRZHRLXJPOBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16/h3-6,8-16H,2,7H2,1H3.
What are the key properties of 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 212.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59075885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).