2,3-dimethyl-1,8a-dihydronaphthalene

C12H14 — CID 143243652

IUPAC2,3-dimethyl-1,8a-dihydronaphthalene
SMILESCC1=C(C)CC2C=CC=CC2=C1
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3
InChIKeyOSBWTSQKFXKUQD-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.40
Rot. Bonds

About 2,3-dimethyl-1,8a-dihydronaphthalene

2,3-dimethyl-1,8a-dihydronaphthalene (PubChem CID 143243652) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,3-dimethyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,8a-dihydronaphthalene
PubChem CID143243652
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name2,3-dimethyl-1,8a-dihydronaphthalene
SMILESCC1=C(C)CC2C=CC=CC2=C1
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3
InChIKeyOSBWTSQKFXKUQD-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-methylphenyl)-1,8a-dihydronaphthalene
CID 140765452
(7aR)-2,7a-dihydro-1H-indene
CID 91327704
10a,11-dihydro-5H-benzo[b]carbazole
CID 137386521
(1R,6S)-8-methylbicyclo[4.4.1]undeca-2,4,8-trien-11-one
CID 14946137
1,7a-dihydro-2-benzothiophene
CID 21196856
1,2,3,10a-tetrahydrobenzo[8]annulene
CID 131884681
2-(9a,10-dihydronaphtho[2,3-f][1,3]benzodithiol-2-ylidene)naphtho[2,3-f][1,3]benzodithiole
CID 89026486
N-(4,4a-dihydronaphthalen-2-ylmethyl)propanamide
CID 143494879
5-(1,8a-dihydronaphthalen-2-yl)-10-methylbenzo[g]isoquinoline
CID 155480865
(6E)-2-methyl-3,4,5,10a-tetrahydro-1H-2-benzazocine
CID 177452177
8-methyl-4a,5-dihydroquinoline
CID 123376596
6-fluoro-13,14,15-trimethyl-26-azahexacyclo[12.11.1.02,11.05,10.016,25.018,23]hexacosa-1,3,5(10),6,8,11,16(25),17,19,21-decaene
CID 170420112

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,8a-dihydronaphthalene?
The IUPAC name of 2,3-dimethyl-1,8a-dihydronaphthalene (CID 143243652) is 2,3-dimethyl-1,8a-dihydronaphthalene.
What is the SMILES notation for 2,3-dimethyl-1,8a-dihydronaphthalene?
The canonical SMILES for 2,3-dimethyl-1,8a-dihydronaphthalene is CC1=C(C)CC2C=CC=CC2=C1.
What is the InChIKey of 2,3-dimethyl-1,8a-dihydronaphthalene?
The InChIKey is OSBWTSQKFXKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,8a-dihydronaphthalene?
2,3-dimethyl-1,8a-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 143243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).