(3aR)-3,3a,4,5-tetrahydroacenaphthylene

C12H12 — CID 95734729

IUPAC(3aR)-3,3a,4,5-tetrahydroacenaphthylene
SMILESC1=C[C@H]2CCCc3cccc1c32
InChIInChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,7-8,11H,2,4,6H2/t11-/m1/s1
InChIKeyFTHSEFQUTAMMGF-LLVKDONJSA-N
MW156.23 g/mol
LogP3.13
Rot. Bonds

About (3aR)-3,3a,4,5-tetrahydroacenaphthylene

(3aR)-3,3a,4,5-tetrahydroacenaphthylene (PubChem CID 95734729) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is (3aR)-3,3a,4,5-tetrahydroacenaphthylene.

Molecular Properties

Compound Name(3aR)-3,3a,4,5-tetrahydroacenaphthylene
PubChem CID95734729
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name(3aR)-3,3a,4,5-tetrahydroacenaphthylene
SMILESC1=C[C@H]2CCCc3cccc1c32
InChIInChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,7-8,11H,2,4,6H2/t11-/m1/s1
InChIKeyFTHSEFQUTAMMGF-LLVKDONJSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,3a-tetrahydroacenaphthylen-3-ol
CID 174387998
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
CID 153397190
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
CID 10374901
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
1,2,2a,3,4,5-hexahydrobenzo[cd]indole
CID 21476735
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
CID 141441485
8-N,8-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 112708810

Frequently Asked Questions

What is the IUPAC name of (3aR)-3,3a,4,5-tetrahydroacenaphthylene?
The IUPAC name of (3aR)-3,3a,4,5-tetrahydroacenaphthylene (CID 95734729) is (3aR)-3,3a,4,5-tetrahydroacenaphthylene.
What is the SMILES notation for (3aR)-3,3a,4,5-tetrahydroacenaphthylene?
The canonical SMILES for (3aR)-3,3a,4,5-tetrahydroacenaphthylene is C1=C[C@H]2CCCc3cccc1c32.
What is the InChIKey of (3aR)-3,3a,4,5-tetrahydroacenaphthylene?
The InChIKey is FTHSEFQUTAMMGF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,7-8,11H,2,4,6H2/t11-/m1/s1.
What are the key properties of (3aR)-3,3a,4,5-tetrahydroacenaphthylene?
(3aR)-3,3a,4,5-tetrahydroacenaphthylene has a molecular weight of 156.23 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3,3a,4,5-tetrahydroacenaphthylene is sourced from PubChem (CID 95734729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).