1,2,5,5a-tetrahydroacenaphthylene

C12H12 — CID 143575355

IUPAC1,2,5,5a-tetrahydroacenaphthylene
SMILESC1=CC2CC=CC3=C2C(=C1)CC3
InChIInChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-6,9H,4,7-8H2
InChIKeyVDVFEEYAPFZAJF-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.15
Rot. Bonds

About 1,2,5,5a-tetrahydroacenaphthylene

1,2,5,5a-tetrahydroacenaphthylene (PubChem CID 143575355) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,2,5,5a-tetrahydroacenaphthylene.

Molecular Properties

Compound Name1,2,5,5a-tetrahydroacenaphthylene
PubChem CID143575355
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1,2,5,5a-tetrahydroacenaphthylene
SMILESC1=CC2CC=CC3=C2C(=C1)CC3
InChIInChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-6,9H,4,7-8H2
InChIKeyVDVFEEYAPFZAJF-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5a-tetrahydroacenaphthylene?
The IUPAC name of 1,2,5,5a-tetrahydroacenaphthylene (CID 143575355) is 1,2,5,5a-tetrahydroacenaphthylene.
What is the SMILES notation for 1,2,5,5a-tetrahydroacenaphthylene?
The canonical SMILES for 1,2,5,5a-tetrahydroacenaphthylene is C1=CC2CC=CC3=C2C(=C1)CC3.
What is the InChIKey of 1,2,5,5a-tetrahydroacenaphthylene?
The InChIKey is VDVFEEYAPFZAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 1,2,5,5a-tetrahydroacenaphthylene?
1,2,5,5a-tetrahydroacenaphthylene has a molecular weight of 156.23 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5a-tetrahydroacenaphthylene is sourced from PubChem (CID 143575355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).