1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

C16H30 — CID 174946291

IUPAC1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCCC1C(C)C(C)CC2CCCC(C)(C)C21
InChIInChI=1S/C16H30/c1-6-14-12(3)11(2)10-13-8-7-9-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3
InChIKeyGQVYFZFSKCQLFI-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.13
Rot. Bonds1

About 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene

1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (PubChem CID 174946291) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
PubChem CID174946291
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
SMILESCCC1C(C)C(C)CC2CCCC(C)(C)C21
InChIInChI=1S/C16H30/c1-6-14-12(3)11(2)10-13-8-7-9-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3
InChIKeyGQVYFZFSKCQLFI-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
but-1-ene;1,1,2,3-tetramethylcyclohexane
CID 142112432
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91264687
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
ethane;3-ethyl-1,1,2-trimethylcyclohexane;propane
CID 176966698
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(1S,5S)-1-ethyl-3,5,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 22216270
1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
CID 58552482
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The IUPAC name of 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene (CID 174946291) is 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The canonical SMILES for 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is CCC1C(C)C(C)CC2CCCC(C)(C)C21.
What is the InChIKey of 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
The InChIKey is GQVYFZFSKCQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-14-12(3)11(2)10-13-8-7-9-16(4,5)15(13)14/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene?
1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 174946291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).