2-hex-5-ynoxy-1,4-dimethylbenzene

C14H18O — CID 82363036

IUPAC2-hex-5-ynoxy-1,4-dimethylbenzene
SMILESC#CCCCCOc1cc(C)ccc1C
InChIInChI=1S/C14H18O/c1-4-5-6-7-10-15-14-11-12(2)8-9-13(14)3/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyKUBWYJGPWDPABM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.49
Rot. Bonds5

About 2-hex-5-ynoxy-1,4-dimethylbenzene

2-hex-5-ynoxy-1,4-dimethylbenzene (PubChem CID 82363036) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-hex-5-ynoxy-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-hex-5-ynoxy-1,4-dimethylbenzene
PubChem CID82363036
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-hex-5-ynoxy-1,4-dimethylbenzene
SMILESC#CCCCCOc1cc(C)ccc1C
InChIInChI=1S/C14H18O/c1-4-5-6-7-10-15-14-11-12(2)8-9-13(14)3/h1,8-9,11H,5-7,10H2,2-3H3
InChIKeyKUBWYJGPWDPABM-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
pent-4-ynyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 176607282
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-(2,5-dimethylphenoxy)butyl-diethylazanium
CID 2245590
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 81004746
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-ynoxy-1,4-dimethylbenzene?
The IUPAC name of 2-hex-5-ynoxy-1,4-dimethylbenzene (CID 82363036) is 2-hex-5-ynoxy-1,4-dimethylbenzene.
What is the SMILES notation for 2-hex-5-ynoxy-1,4-dimethylbenzene?
The canonical SMILES for 2-hex-5-ynoxy-1,4-dimethylbenzene is C#CCCCCOc1cc(C)ccc1C.
What is the InChIKey of 2-hex-5-ynoxy-1,4-dimethylbenzene?
The InChIKey is KUBWYJGPWDPABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-5-6-7-10-15-14-11-12(2)8-9-13(14)3/h1,8-9,11H,5-7,10H2,2-3H3.
What are the key properties of 2-hex-5-ynoxy-1,4-dimethylbenzene?
2-hex-5-ynoxy-1,4-dimethylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-ynoxy-1,4-dimethylbenzene is sourced from PubChem (CID 82363036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).