1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene

C30H52 — CID 175494887

IUPAC1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCCCCCCC(CCCCCCC)C1CCCc2ccccc21
InChIInChI=1S/C30H52/c1-3-5-7-9-10-11-12-13-15-17-22-27(21-16-14-8-6-4-2)30-26-20-24-28-23-18-19-25-29(28)30/h18-19,23,25,27,30H,3-17,20-22,24,26H2,1-2H3
InChIKeyFKXSPAPOAYAGNE-UHFFFAOYSA-N
MW412.75 g/mol
LogP10.39
Rot. Bonds18

About 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene

1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 175494887) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID175494887
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Name1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCCCCCCC(CCCCCCC)C1CCCc2ccccc21
InChIInChI=1S/C30H52/c1-3-5-7-9-10-11-12-13-15-17-22-27(21-16-14-8-6-4-2)30-26-20-24-28-23-18-19-25-29(28)30/h18-19,23,25,27,30H,3-17,20-22,24,26H2,1-2H3
InChIKeyFKXSPAPOAYAGNE-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
CID 174824376
(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol
CID 165177083
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012

Frequently Asked Questions

What is the IUPAC name of 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene (CID 175494887) is 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene is CCCCCCCCCCCCC(CCCCCCC)C1CCCc2ccccc21.
What is the InChIKey of 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FKXSPAPOAYAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52/c1-3-5-7-9-10-11-12-13-15-17-22-27(21-16-14-8-6-4-2)30-26-20-24-28-23-18-19-25-29(28)30/h18-19,23,25,27,30H,3-17,20-22,24,26H2,1-2H3.
What are the key properties of 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene?
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 412.75 g/mol, XLogP of 10.39, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 175494887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).