6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene

C16H30 — CID 174846059

IUPAC6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
SMILESCCC1(C)CC2C(CCCC2(C)C)CC1C
InChIInChI=1S/C16H30/c1-6-16(5)11-14-13(10-12(16)2)8-7-9-15(14,3)4/h12-14H,6-11H2,1-5H3
InChIKeyZONMWZXVLVYKTP-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds1

About 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene

6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene (PubChem CID 174846059) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
PubChem CID174846059
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
SMILESCCC1(C)CC2C(CCCC2(C)C)CC1C
InChIInChI=1S/C16H30/c1-6-16(5)11-14-13(10-12(16)2)8-7-9-15(14,3)4/h12-14H,6-11H2,1-5H3
InChIKeyZONMWZXVLVYKTP-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene with MolForge

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Related Compounds

2-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)acetaldehyde
CID 87129390
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)propan-1-one
CID 174549331
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
(4aS,7S)-7-ethoxy-4,4,7-trimethyl-1,2,3,4a,5,6,8,8a-octahydronaphthalene
CID 176561000
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 174946291
1,3-diethyl-1,2-dimethylcyclohexane
CID 123496519

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene?
The IUPAC name of 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene (CID 174846059) is 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene.
What is the SMILES notation for 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene?
The canonical SMILES for 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene is CCC1(C)CC2C(CCCC2(C)C)CC1C.
What is the InChIKey of 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene?
The InChIKey is ZONMWZXVLVYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-16(5)11-14-13(10-12(16)2)8-7-9-15(14,3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene?
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene is sourced from PubChem (CID 174846059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).