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

C16H30 — CID 134158825

IUPAC2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
SMILESCCC1CC2CCC(C)(C)CC2CC1(C)C
InChIInChI=1S/C16H30/c1-6-14-9-12-7-8-15(2,3)10-13(12)11-16(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyUXRATTWBBZQXHF-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds1

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

2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene (PubChem CID 134158825) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
PubChem CID134158825
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene
SMILESCCC1CC2CCC(C)(C)CC2CC1(C)C
InChIInChI=1S/C16H30/c1-6-14-9-12-7-8-15(2,3)10-13(12)11-16(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyUXRATTWBBZQXHF-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

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Related Compounds

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CID 143295937
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CID 123277009
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
2-ethyl-1-methyl-1-pent-3-en-2-ylcyclopropane
CID 123462514
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
CID 123709133
4-ethyl-3,3-dimethylcyclohexan-1-ol
CID 58534383
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
2,6-diethyl-1-methylbicyclo[3.1.1]heptane
CID 123140222
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
2,6,9-triethyl-1,1,4,4,6,9-hexamethylcyclodecane
CID 91011571
2-ethyl-1,1,4,5,5-pentamethylcyclohexane
CID 123866855
2-[3-(10-ethyl-2,2-dimethylcyclotridecyl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552287

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene?
The IUPAC name of 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene (CID 134158825) is 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene.
What is the SMILES notation for 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene?
The canonical SMILES for 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene is CCC1CC2CCC(C)(C)CC2CC1(C)C.
What is the InChIKey of 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene?
The InChIKey is UXRATTWBBZQXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-14-9-12-7-8-15(2,3)10-13(12)11-16(14,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene?
2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,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 2-ethyl-3,3,6,6-tetramethyl-1,2,4,4a,5,7,8,8a-octahydronaphthalene is sourced from PubChem (CID 134158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).