2-octan-3-ylnaphthalene

C18H24 — CID 14029920

IUPAC2-octan-3-ylnaphthalene
SMILESCCCCCC(CC)c1ccc2ccccc2c1
InChIInChI=1S/C18H24/c1-3-5-6-9-15(4-2)18-13-12-16-10-7-8-11-17(16)14-18/h7-8,10-15H,3-6,9H2,1-2H3
InChIKeyMQRJOPUBOFDSSD-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.91
Rot. Bonds6

About 2-octan-3-ylnaphthalene

2-octan-3-ylnaphthalene (PubChem CID 14029920) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-octan-3-ylnaphthalene.

Molecular Properties

Compound Name2-octan-3-ylnaphthalene
PubChem CID14029920
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-octan-3-ylnaphthalene
SMILESCCCCCC(CC)c1ccc2ccccc2c1
InChIInChI=1S/C18H24/c1-3-5-6-9-15(4-2)18-13-12-16-10-7-8-11-17(16)14-18/h7-8,10-15H,3-6,9H2,1-2H3
InChIKeyMQRJOPUBOFDSSD-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.91
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

octan-3-ylbenzene
CID 519547
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
1-naphthalen-2-ylnonylhydrazine
CID 105213332
2-(2-phenylheptyl)naphthalene
CID 174423017
N-carbamothioyl-3-naphthalen-2-yldodecanamide
CID 175370376
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
4-(1-naphthalen-2-ylheptan-2-yl)benzonitrile
CID 174430429
2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
CID 174443793
1-octan-3-yl-4-prop-1-en-2-ylbenzene
CID 144723929
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
heptan-3-ylbenzene;methane
CID 159006232

Frequently Asked Questions

What is the IUPAC name of 2-octan-3-ylnaphthalene?
The IUPAC name of 2-octan-3-ylnaphthalene (CID 14029920) is 2-octan-3-ylnaphthalene.
What is the SMILES notation for 2-octan-3-ylnaphthalene?
The canonical SMILES for 2-octan-3-ylnaphthalene is CCCCCC(CC)c1ccc2ccccc2c1.
What is the InChIKey of 2-octan-3-ylnaphthalene?
The InChIKey is MQRJOPUBOFDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-3-5-6-9-15(4-2)18-13-12-16-10-7-8-11-17(16)14-18/h7-8,10-15H,3-6,9H2,1-2H3.
What are the key properties of 2-octan-3-ylnaphthalene?
2-octan-3-ylnaphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-3-ylnaphthalene is sourced from PubChem (CID 14029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).