1,2,6,7-tetrahydropyrene

C16H14 — CID 18977681

IUPAC1,2,6,7-tetrahydropyrene
SMILESC1=c2ccc3c4c(ccc(c24)CC1)=CCC3
InChIInChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h3,6-10H,1-2,4-5H2
InChIKeyPMLHBGGUCHRADA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.29
Rot. Bonds

About 1,2,6,7-tetrahydropyrene

1,2,6,7-tetrahydropyrene (PubChem CID 18977681) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,2,6,7-tetrahydropyrene.

Molecular Properties

Compound Name1,2,6,7-tetrahydropyrene
PubChem CID18977681
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1,2,6,7-tetrahydropyrene
SMILESC1=c2ccc3c4c(ccc(c24)CC1)=CCC3
InChIInChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h3,6-10H,1-2,4-5H2
InChIKeyPMLHBGGUCHRADA-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7-tetrahydropyrene?
The IUPAC name of 1,2,6,7-tetrahydropyrene (CID 18977681) is 1,2,6,7-tetrahydropyrene.
What is the SMILES notation for 1,2,6,7-tetrahydropyrene?
The canonical SMILES for 1,2,6,7-tetrahydropyrene is C1=c2ccc3c4c(ccc(c24)CC1)=CCC3.
What is the InChIKey of 1,2,6,7-tetrahydropyrene?
The InChIKey is PMLHBGGUCHRADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h3,6-10H,1-2,4-5H2.
What are the key properties of 1,2,6,7-tetrahydropyrene?
1,2,6,7-tetrahydropyrene has a molecular weight of 206.29 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7-tetrahydropyrene is sourced from PubChem (CID 18977681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).