1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane

C28H36 — CID 143254396

IUPAC1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane
SMILESCC.CC.CC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C
InChIInChI=1S/C24H24.2C2H6/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24;2*1-2/h5-9,11-14,20H,10H2,1-4H3;2*1-2H3
InChIKeySKVPYRMMQILLGI-UHFFFAOYSA-N
MW372.60 g/mol
LogP8.74
Rot. Bonds1

About 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane

1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane (PubChem CID 143254396) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane.

Molecular Properties

Compound Name1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane
PubChem CID143254396
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane
SMILESCC.CC.CC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C
InChIInChI=1S/C24H24.2C2H6/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24;2*1-2/h5-9,11-14,20H,10H2,1-4H3;2*1-2H3
InChIKeySKVPYRMMQILLGI-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene
CID 143254397
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
ethane;9-methylanthracene;naphthalene
CID 161226057
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647
9-methylanthracene;naphthalene
CID 142881908
ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
CID 159798458
1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
CID 23015278

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane?
The IUPAC name of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane (CID 143254396) is 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane.
What is the SMILES notation for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane?
The canonical SMILES for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane is CC.CC.CC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C.
What is the InChIKey of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane?
The InChIKey is SKVPYRMMQILLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24.2C2H6/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24;2*1-2/h5-9,11-14,20H,10H2,1-4H3;2*1-2H3.
What are the key properties of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane?
1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane has a molecular weight of 372.60 g/mol, XLogP of 8.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane is sourced from PubChem (CID 143254396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).