1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C17H32O — CID 90715549

IUPAC1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C17H32O/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h15-17H,2-14H2,1H3
InChIKeyQQIBSSHGLWMWSA-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.19
Rot. Bonds7

About 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 90715549) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID90715549
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C17H32O/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h15-17H,2-14H2,1H3
InChIKeyQQIBSSHGLWMWSA-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.19
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-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
2-(3-ethoxypropyl)cycloheptan-1-amine
CID 65180588
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine
CID 174822140
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butan-1-ol
CID 89099037
(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
7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 166038561

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 90715549) is 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCOCCCCCC1CCCC2CCCCC12.
What is the InChIKey of 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is QQIBSSHGLWMWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-18-14-7-3-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h15-17H,2-14H2,1H3.
What are the key properties of 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 252.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 90715549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).