2,4-dimethyl-1-non-1-ynylbenzene

C17H24 — CID 146003256

IUPAC2,4-dimethyl-1-non-1-ynylbenzene
SMILESCCCCCCCC#Cc1ccc(C)cc1C
InChIInChI=1S/C17H24/c1-4-5-6-7-8-9-10-11-17-13-12-15(2)14-16(17)3/h12-14H,4-9H2,1-3H3
InChIKeyUYFFBVTVNYGWDL-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.02
Rot. Bonds5

About 2,4-dimethyl-1-non-1-ynylbenzene

2,4-dimethyl-1-non-1-ynylbenzene (PubChem CID 146003256) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-non-1-ynylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-non-1-ynylbenzene
PubChem CID146003256
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2,4-dimethyl-1-non-1-ynylbenzene
SMILESCCCCCCCC#Cc1ccc(C)cc1C
InChIInChI=1S/C17H24/c1-4-5-6-7-8-9-10-11-17-13-12-15(2)14-16(17)3/h12-14H,4-9H2,1-3H3
InChIKeyUYFFBVTVNYGWDL-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.02
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

1,2,4-trimethyl-5-oct-1-ynylbenzene
CID 146003804
N,N,4-trimethyl-2-oct-1-ynylaniline
CID 11564991
1-but-1-ynyl-2,4-dimethylbenzene
CID 145401226
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
1-(4-chlorobut-1-ynyl)-2,4-dimethylbenzene
CID 60799689
1-hept-1-ynyl-2,3-dimethylbenzene
CID 146003227
1,2-bis(oct-1-ynyl)benzene
CID 11087701
4,5-dimethyl-2-oct-1-ynylaniline
CID 86095171
3-(2,4-dimethylphenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146003255
4-(4-hexoxy-2-methylphenyl)but-3-yn-1-ol
CID 83135333
2-hex-1-ynyl-N,4-dimethylaniline
CID 135086230
1,4-bis(hexadec-1-ynyl)-2-methylnaphthalene
CID 169050282

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-non-1-ynylbenzene?
The IUPAC name of 2,4-dimethyl-1-non-1-ynylbenzene (CID 146003256) is 2,4-dimethyl-1-non-1-ynylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-non-1-ynylbenzene?
The canonical SMILES for 2,4-dimethyl-1-non-1-ynylbenzene is CCCCCCCC#Cc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-non-1-ynylbenzene?
The InChIKey is UYFFBVTVNYGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-4-5-6-7-8-9-10-11-17-13-12-15(2)14-16(17)3/h12-14H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-non-1-ynylbenzene?
2,4-dimethyl-1-non-1-ynylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-non-1-ynylbenzene is sourced from PubChem (CID 146003256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).