(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22 — CID 165360268

IUPAC(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC[C@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyHUMCBDCARGDFNV-QJPTWQEYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 165360268) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID165360268
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC[C@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyHUMCBDCARGDFNV-QJPTWQEYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

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CID 143787282
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
4-(2-ethylcyclohexyl)piperidine
CID 106779195
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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3-(2-ethylcyclohexyl)azetidine
CID 130510818
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
2-[(1R,2R)-2-ethylcyclopentyl]-1,3-dioxolane
CID 159348554

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 165360268) is (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC[C@H]1CCC[C@H]2CCCC[C@@H]21.
What is the InChIKey of (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HUMCBDCARGDFNV-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 165360268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).