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

C19H36 — CID 139911728

IUPAC1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C19H36/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h17-19H,2-16H2,1H3
InChIKeyJYZIZPVEKDVGHQ-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.73
Rot. Bonds8

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

1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139911728) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139911728
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCCCCCCCC1CCCC2CCCCC12
InChIInChI=1S/C19H36/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h17-19H,2-16H2,1H3
InChIKeyJYZIZPVEKDVGHQ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.73
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

2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
Taxane
CID 9548828
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379
Amorphane
CID 34540
Heptane, 1,1-dicyclohexyl-
CID 16404
Naphthalene, decahydro-1,4-dimethyl-5-octyl-
CID 41260
2-n-Butyldecahydronaphthalene
CID 237522
1,1-Dicyclohexyltetradecane
CID 291313
Anthracene, 9-dodecyltetradecahydro-
CID 294752
9-n-Dodecylperhydrophenanthrene
CID 296267

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139911728) is 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCCCCCCCC1CCCC2CCCCC12.
What is the InChIKey of 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is JYZIZPVEKDVGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h17-19H,2-16H2,1H3.
What are the key properties of 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 264.50 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).