3a,8a-dihydropyrene

C16H12 — CID 139244996

IUPAC3a,8a-dihydropyrene
SMILESC1=CC2C=CC3=CC=CC4C=CC(=C1)C2=C34
InChIInChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-11,14H
InChIKeyASIPUDMPPNJQTI-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.65
Rot. Bonds

About 3a,8a-dihydropyrene

3a,8a-dihydropyrene (PubChem CID 139244996) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3a,8a-dihydropyrene.

Molecular Properties

Compound Name3a,8a-dihydropyrene
PubChem CID139244996
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name3a,8a-dihydropyrene
SMILESC1=CC2C=CC3=CC=CC4C=CC(=C1)C2=C34
InChIInChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-11,14H
InChIKeyASIPUDMPPNJQTI-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3a,8a-dihydropyrene?
The IUPAC name of 3a,8a-dihydropyrene (CID 139244996) is 3a,8a-dihydropyrene.
What is the SMILES notation for 3a,8a-dihydropyrene?
The canonical SMILES for 3a,8a-dihydropyrene is C1=CC2C=CC3=CC=CC4C=CC(=C1)C2=C34.
What is the InChIKey of 3a,8a-dihydropyrene?
The InChIKey is ASIPUDMPPNJQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-11,14H.
What are the key properties of 3a,8a-dihydropyrene?
3a,8a-dihydropyrene has a molecular weight of 204.27 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,8a-dihydropyrene is sourced from PubChem (CID 139244996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).