1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

C17H32O — CID 25076614

IUPAC1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCOCCC1C(C)CCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-13-7-8-15-16(2,3)10-6-11-17(15,4)14(13)9-12-18-5/h13-15H,6-12H2,1-5H3
InChIKeyLXWCVAXEJGDEHC-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.90
Rot. Bonds3

About 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 25076614) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID25076614
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCOCCC1C(C)CCC2C(C)(C)CCCC12C
InChIInChI=1S/C17H32O/c1-13-7-8-15-16(2,3)10-6-11-17(15,4)14(13)9-12-18-5/h13-15H,6-12H2,1-5H3
InChIKeyLXWCVAXEJGDEHC-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 25076614) is 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is COCCC1C(C)CCC2C(C)(C)CCCC12C.
What is the InChIKey of 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is LXWCVAXEJGDEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-13-7-8-15-16(2,3)10-6-11-17(15,4)14(13)9-12-18-5/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 252.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 25076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).