6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C16H30 — CID 142317550

IUPAC6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC(C)C1CCC2C(CC)CCCC2C1
InChIInChI=1S/C16H30/c1-4-12(3)14-9-10-16-13(5-2)7-6-8-15(16)11-14/h12-16H,4-11H2,1-3H3
InChIKeyCOSHEDFBYIUHDA-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds3

About 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142317550) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142317550
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC(C)C1CCC2C(CC)CCCC2C1
InChIInChI=1S/C16H30/c1-4-12(3)14-9-10-16-13(5-2)7-6-8-15(16)11-14/h12-16H,4-11H2,1-3H3
InChIKeyCOSHEDFBYIUHDA-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

1-cyclobutyl-2-ethylcyclobutane
CID 123211451
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
2-(3-butan-2-ylcyclopentyl)bicyclo[1.1.0]butane
CID 123692466
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
1-butan-2-yl-3-propylcyclopentane
CID 123336585
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
CID 83906614
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142317550) is 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC(C)C1CCC2C(CC)CCCC2C1.
What is the InChIKey of 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is COSHEDFBYIUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-12(3)14-9-10-16-13(5-2)7-6-8-15(16)11-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142317550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).