1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C20H38 — CID 123235096

IUPAC1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCCCC(C)(C)C1CCC2(C)C(C)C(C)CCC2C1C
InChIInChI=1S/C20H38/c1-8-12-19(5,6)17-11-13-20(7)16(4)14(2)9-10-18(20)15(17)3/h14-18H,8-13H2,1-7H3
InChIKeyPSWKVSPCVUYVGC-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.55
Rot. Bonds3

About 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 123235096) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID123235096
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCCCC(C)(C)C1CCC2(C)C(C)C(C)CCC2C1C
InChIInChI=1S/C20H38/c1-8-12-19(5,6)17-11-13-20(7)16(4)14(2)9-10-18(20)15(17)3/h14-18H,8-13H2,1-7H3
InChIKeyPSWKVSPCVUYVGC-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]ethanone
CID 77425892
1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole
CID 129049276
(7aS)-4,7a-dimethyl-5-(2-methylbutan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 155461129
1,2,3-trimethyl-1-(2,3,5-trimethylcyclopentyl)cyclopentane
CID 123679159
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
6-tert-butyl-1,2,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 123484692
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
(8S,9S,10R,13R,14S,17S)-17-ethyl-1,2,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173273453
(4R)-4-[4,7a-dimethyl-5-(3-methylpentan-3-yl)-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pentan-1-amine;butan-1-ol
CID 170742951
1,3-dimethyl-1-(2-methylpentan-2-yl)cyclopentane
CID 123191359
(1S,2S,3R,4S,6R)-3-amino-4-tert-butyl-2-methyl-6-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 163450652

Frequently Asked Questions

What is the IUPAC name of 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 123235096) is 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is CCCC(C)(C)C1CCC2(C)C(C)C(C)CCC2C1C.
What is the InChIKey of 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is PSWKVSPCVUYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-8-12-19(5,6)17-11-13-20(7)16(4)14(2)9-10-18(20)15(17)3/h14-18H,8-13H2,1-7H3.
What are the key properties of 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 278.52 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8a-tetramethyl-6-(2-methylpentan-2-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 123235096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).