1-ethyl-4-hex-5-ynylbenzene

C14H18 — CID 90962288

IUPAC1-ethyl-4-hex-5-ynylbenzene
SMILESC#CCCCCc1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h1,9-12H,4-8H2,2H3
InChIKeyDBNDTKLQIZLYIB-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.60
Rot. Bonds5

About 1-ethyl-4-hex-5-ynylbenzene

1-ethyl-4-hex-5-ynylbenzene (PubChem CID 90962288) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-4-hex-5-ynylbenzene.

Molecular Properties

Compound Name1-ethyl-4-hex-5-ynylbenzene
PubChem CID90962288
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-4-hex-5-ynylbenzene
SMILESC#CCCCCc1ccc(CC)cc1
InChIInChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h1,9-12H,4-8H2,2H3
InChIKeyDBNDTKLQIZLYIB-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.60
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-decyl-4-hept-6-ynylbenzene
CID 91331883
4-hex-5-ynylphenol
CID 57017848
1-ethyl-4-octacosylbenzene
CID 175218304
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
2,4-diethyl-1-pent-4-ynylbenzene
CID 123845547
1-but-3-ynyl-4-propylbenzene
CID 57182536
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
1-decyl-4-prop-2-ynylbenzene
CID 91445051
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
1,3-dimethoxy-5-non-8-ynylbenzene
CID 10978220
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hex-5-ynylbenzene?
The IUPAC name of 1-ethyl-4-hex-5-ynylbenzene (CID 90962288) is 1-ethyl-4-hex-5-ynylbenzene.
What is the SMILES notation for 1-ethyl-4-hex-5-ynylbenzene?
The canonical SMILES for 1-ethyl-4-hex-5-ynylbenzene is C#CCCCCc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-hex-5-ynylbenzene?
The InChIKey is DBNDTKLQIZLYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h1,9-12H,4-8H2,2H3.
What are the key properties of 1-ethyl-4-hex-5-ynylbenzene?
1-ethyl-4-hex-5-ynylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hex-5-ynylbenzene is sourced from PubChem (CID 90962288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).