1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C16H30O — CID 123428018

IUPAC1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCCC1C(C)CCC2CC(C)CCC21COC
InChIInChI=1S/C16H30O/c1-5-15-13(3)6-7-14-10-12(2)8-9-16(14,15)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyDLBUQGGUWBKTQJ-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.51
Rot. Bonds3

About 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 123428018) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID123428018
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCCC1C(C)CCC2CC(C)CCC21COC
InChIInChI=1S/C16H30O/c1-5-15-13(3)6-7-14-10-12(2)8-9-16(14,15)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyDLBUQGGUWBKTQJ-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene with MolForge

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Related Compounds

1-[(3S,5R,8S,9S,10R,13S,14S,17S)-10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 130378554
ethane;(3S,10R,13S,17E)-17-ethylidene-10-(methoxymethyl)-3,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 144797492
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
1-[10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(triazol-2-yl)ethanone
CID 144797556
1-[10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-morpholin-4-ylethanone
CID 138660943
2-(4-acetylpiperazin-1-yl)-1-[(3S,8S,10R,13S,14S,17S)-10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 155236488
N,N'-diamino-N-[2-[(3S,5S,8S,9S,10R,13S,17S)-10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]ethanimidamide
CID 155236525
1-[10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-b]pyrazin-1-ylethanone
CID 144797617
1-(1-ethyl-3-methoxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)ethanone
CID 145443345
10-ethyl-N-methoxy-N,3,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 142612997
[(3S,8R,10R,13S,17S)-8-amino-10-(methoxymethyl)-3,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 146408426
2-[4-(hydroxymethyl)pyrazol-1-yl]-1-[(17S)-10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;methane
CID 145142707

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 123428018) is 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is CCC1C(C)CCC2CC(C)CCC21COC.
What is the InChIKey of 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is DLBUQGGUWBKTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-15-13(3)6-7-14-10-12(2)8-9-16(14,15)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 238.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8a-(methoxymethyl)-2,6-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 123428018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).