1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C16H30 — CID 54214621

IUPAC1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C16H30/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h14-16H,2-13H2,1H3
InChIKeyPYHDZGQQCRHSDX-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds5

About 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 54214621) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID54214621
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C16H30/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h14-16H,2-13H2,1H3
InChIKeyPYHDZGQQCRHSDX-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.56
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-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
1-[2-(2-methyl-5-pentylcyclopentyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143902616
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 54214621) is 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCCCCC1CCCC2CCCCC12.
What is the InChIKey of 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is PYHDZGQQCRHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h14-16H,2-13H2,1H3.
What are the key properties of 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 222.42 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 54214621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).