1-hex-1-ynylnaphthalene

C16H16 — CID 11769709

IUPAC1-hex-1-ynylnaphthalene
SMILESCCCCC#Cc1cccc2ccccc12
InChIInChI=1S/C16H16/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-8,10-13H,2-4H2,1H3
InChIKeyBFFQDUOVMHMYIK-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.38
Rot. Bonds2

About 1-hex-1-ynylnaphthalene

1-hex-1-ynylnaphthalene (PubChem CID 11769709) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-hex-1-ynylnaphthalene.

Molecular Properties

Compound Name1-hex-1-ynylnaphthalene
PubChem CID11769709
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-hex-1-ynylnaphthalene
SMILESCCCCC#Cc1cccc2ccccc12
InChIInChI=1S/C16H16/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-8,10-13H,2-4H2,1H3
InChIKeyBFFQDUOVMHMYIK-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

3-hex-1-ynylperylene
CID 11013017
1,2-bis(oct-1-ynyl)benzene
CID 11087701
3-octadec-1-ynylperylene
CID 102404974
(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
1-hept-1-ynyl-2,3-dimethylbenzene
CID 146003227
2-hex-1-ynylnaphthalene
CID 15311977
2-hex-1-ynylbenzoyl chloride
CID 10727684
6-hex-1-ynyl-2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 122533858
3-naphthalen-1-ylprop-2-ynyl-(3-phenylprop-2-ynyl)-dipropylazanium bromide
CID 21233467
1-hex-1-ynylnaphthalene-2-carboxylic acid
CID 150320231

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynylnaphthalene?
The IUPAC name of 1-hex-1-ynylnaphthalene (CID 11769709) is 1-hex-1-ynylnaphthalene.
What is the SMILES notation for 1-hex-1-ynylnaphthalene?
The canonical SMILES for 1-hex-1-ynylnaphthalene is CCCCC#Cc1cccc2ccccc12.
What is the InChIKey of 1-hex-1-ynylnaphthalene?
The InChIKey is BFFQDUOVMHMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-3-4-5-9-14-11-8-12-15-10-6-7-13-16(14)15/h6-8,10-13H,2-4H2,1H3.
What are the key properties of 1-hex-1-ynylnaphthalene?
1-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 1-hex-1-ynylnaphthalene is sourced from PubChem (CID 11769709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).