5-methyl-4,5-dihydroacenaphthylene

C13H12 — CID 144601086

IUPAC5-methyl-4,5-dihydroacenaphthylene
SMILESCC1CC=C2C=Cc3cccc1c32
InChIInChI=1S/C13H12/c1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11/h2-4,6-9H,5H2,1H3
InChIKeyCEPALXAQQITKAA-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.60
Rot. Bonds

About 5-methyl-4,5-dihydroacenaphthylene

5-methyl-4,5-dihydroacenaphthylene (PubChem CID 144601086) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-4,5-dihydroacenaphthylene.

Molecular Properties

Compound Name5-methyl-4,5-dihydroacenaphthylene
PubChem CID144601086
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name5-methyl-4,5-dihydroacenaphthylene
SMILESCC1CC=C2C=Cc3cccc1c32
InChIInChI=1S/C13H12/c1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11/h2-4,6-9H,5H2,1H3
InChIKeyCEPALXAQQITKAA-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-1,2-dihydronaphthalene
CID 19377181
4,9-dimethyl-4,5,9,10-tetrahydropyrene
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CID 173375085
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
CID 156719082
(4S)-4-methylcyclobuten-1-amine
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(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 102399730
9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 91435871
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
1,6-dimethyl-1,2-dihydronaphthalene
CID 11171128
5-methyl-5,6-dihydronaphthalen-2-amine
CID 139515733
(5S,6R)-6-methyl-6,7-dihydro-5H-benzo[7]annulen-5-olate
CID 164667977
N-[4-(4,4a-dihydrophenanthren-2-yl)phenyl]-3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 155303596

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydroacenaphthylene?
The IUPAC name of 5-methyl-4,5-dihydroacenaphthylene (CID 144601086) is 5-methyl-4,5-dihydroacenaphthylene.
What is the SMILES notation for 5-methyl-4,5-dihydroacenaphthylene?
The canonical SMILES for 5-methyl-4,5-dihydroacenaphthylene is CC1CC=C2C=Cc3cccc1c32.
What is the InChIKey of 5-methyl-4,5-dihydroacenaphthylene?
The InChIKey is CEPALXAQQITKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-9-5-6-11-8-7-10-3-2-4-12(9)13(10)11/h2-4,6-9H,5H2,1H3.
What are the key properties of 5-methyl-4,5-dihydroacenaphthylene?
5-methyl-4,5-dihydroacenaphthylene has a molecular weight of 168.24 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydroacenaphthylene is sourced from PubChem (CID 144601086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).