1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene

C14H18 — CID 123483925

IUPAC1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
SMILESCC1=CC=C(C)C2C(C)=CC=C(C)C12
InChIInChI=1S/C14H18/c1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14/h5-8,13-14H,1-4H3
InChIKeyKHUPCSBZYNIKKS-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds

About 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene

1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene (PubChem CID 123483925) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
PubChem CID123483925
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
SMILESCC1=CC=C(C)C2C(C)=CC=C(C)C12
InChIInChI=1S/C14H18/c1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14/h5-8,13-14H,1-4H3
InChIKeyKHUPCSBZYNIKKS-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene
CID 123465599
2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
CID 101214763
(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene
CID 163495167
(6S)-2,5-dimethylbicyclo[4.1.0]hepta-1(7),2,4-triene
CID 163857189
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
2,3,4,7-tetramethyl-3H-azepine
CID 147408067
5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
CID 89088056
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 138614470
6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one
CID 22465822
6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione
CID 18407699
7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one
CID 163998934

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene?
The IUPAC name of 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene (CID 123483925) is 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene?
The canonical SMILES for 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene is CC1=CC=C(C)C2C(C)=CC=C(C)C12.
What is the InChIKey of 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene?
The InChIKey is KHUPCSBZYNIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14/h5-8,13-14H,1-4H3.
What are the key properties of 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene?
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene is sourced from PubChem (CID 123483925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).