2-hex-1-ynylnaphthalene

C16H16 — CID 15311977

IUPAC2-hex-1-ynylnaphthalene
SMILESCCCCC#Cc1ccc2ccccc2c1
InChIInChI=1S/C16H16/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-4H2,1H3
InChIKeyMUOZIRLLUPEXED-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.38
Rot. Bonds2

About 2-hex-1-ynylnaphthalene

2-hex-1-ynylnaphthalene (PubChem CID 15311977) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-hex-1-ynylnaphthalene.

Molecular Properties

Compound Name2-hex-1-ynylnaphthalene
PubChem CID15311977
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name2-hex-1-ynylnaphthalene
SMILESCCCCC#Cc1ccc2ccccc2c1
InChIInChI=1S/C16H16/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-4H2,1H3
InChIKeyMUOZIRLLUPEXED-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
6-pent-1-ynylnaphthalen-2-ol
CID 123520256
3-hex-1-ynylbenzonitrile
CID 86099197
1-bromo-3-hex-1-ynylbenzene
CID 101374896
2,7-bis(hex-1-ynyl)-9H-carbazole
CID 165358279
4-naphthalen-2-ylbut-3-ynenitrile
CID 170474971
4-hept-1-ynyl-1,2-dimethylbenzene
CID 146003285
tridec-1-ynylbenzene
CID 19991064
4-hex-1-ynylaniline
CID 11845914
1-ethynyl-4-hex-1-ynylbenzene
CID 19050497
1-hex-1-ynylnaphthalene
CID 11769709
1-hept-1-ynyl-4-phenoxybenzene
CID 146003733

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynylnaphthalene?
The IUPAC name of 2-hex-1-ynylnaphthalene (CID 15311977) is 2-hex-1-ynylnaphthalene.
What is the SMILES notation for 2-hex-1-ynylnaphthalene?
The canonical SMILES for 2-hex-1-ynylnaphthalene is CCCCC#Cc1ccc2ccccc2c1.
What is the InChIKey of 2-hex-1-ynylnaphthalene?
The InChIKey is MUOZIRLLUPEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-3-4-5-8-14-11-12-15-9-6-7-10-16(15)13-14/h6-7,9-13H,2-4H2,1H3.
What are the key properties of 2-hex-1-ynylnaphthalene?
2-hex-1-ynylnaphthalene has a molecular weight of 208.30 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynylnaphthalene is sourced from PubChem (CID 15311977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).