1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

C17H32O — CID 134427704

IUPAC1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCCOCCC1CCCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-5-18-13-10-14-8-6-9-15-16(2,3)11-7-12-17(14,15)4/h14-15H,5-13H2,1-4H3
InChIKeyYJFBYYOHCAORPG-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.05
Rot. Bonds4

About 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 134427704) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID134427704
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCCOCCC1CCCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-5-18-13-10-14-8-6-9-15-16(2,3)11-7-12-17(14,15)4/h14-15H,5-13H2,1-4H3
InChIKeyYJFBYYOHCAORPG-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-2-methylpropan-2-ol
CID 57067852
5,5,8a-trimethyl-1-[(2E)-penta-2,4-dienyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 144982614
(4aS,7R,8S,8aS)-4,4,7,8,8a-pentamethyl-7-propoxy-2,3,4a,5,6,8-hexahydro-1H-naphthalene
CID 134556864
2-(ethoxymethyl)-1,1-dimethylcyclopentane
CID 91066483
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
dimethyl 2-[2-(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedioate
CID 123534338
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-propyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 134335088
(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
(8aR)-1-ethyl-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 91148268
6,6,9a-trimethyl-2,3,3a,4,5,5a,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalene
CID 140589212
(1S,3aS,7aR)-1-methoxy-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 90388768
2-[(1R,2R,8aS)-2-fluoro-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanol
CID 129213657

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 134427704) is 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is CCOCCC1CCCC2C(C)(C)CCCC12C.
What is the InChIKey of 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is YJFBYYOHCAORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-5-18-13-10-14-8-6-9-15-16(2,3)11-7-12-17(14,15)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 252.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 134427704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).