1,4-diethyl-2-(2-methylhex-3-ynyl)benzene

C17H24 — CID 83920970

IUPAC1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
SMILESCCC#CC(C)Cc1cc(CC)ccc1CC
InChIInChI=1S/C17H24/c1-5-8-9-14(4)12-17-13-15(6-2)10-11-16(17)7-3/h10-11,13-14H,5-7,12H2,1-4H3
InChIKeyMHIPHWQEOVEYMR-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.40
Rot. Bonds4

About 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene

1,4-diethyl-2-(2-methylhex-3-ynyl)benzene (PubChem CID 83920970) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene.

Molecular Properties

Compound Name1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
PubChem CID83920970
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1,4-diethyl-2-(2-methylhex-3-ynyl)benzene
SMILESCCC#CC(C)Cc1cc(CC)ccc1CC
InChIInChI=1S/C17H24/c1-5-8-9-14(4)12-17-13-15(6-2)10-11-16(17)7-3/h10-11,13-14H,5-7,12H2,1-4H3
InChIKeyMHIPHWQEOVEYMR-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethyl-2-(2-methylpent-3-ynyl)benzene
CID 83920969
2-ethyl-4-methoxy-1-(2-methylhex-3-ynyl)benzene
CID 83941584
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
1-(2-methylhex-3-ynyl)-4-methylsulfonylbenzene
CID 83926348
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
1-fluoro-4,5-dimethyl-2-(2-methylhex-3-ynyl)benzene
CID 83931656
2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83920999
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
1-(2-methylhex-3-ynyl)-4-phenoxybenzene
CID 83938992
2-bromo-1-ethyl-4-(2-methylpent-3-ynyl)benzene
CID 83921681
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene?
The IUPAC name of 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene (CID 83920970) is 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene.
What is the SMILES notation for 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene?
The canonical SMILES for 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene is CCC#CC(C)Cc1cc(CC)ccc1CC.
What is the InChIKey of 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene?
The InChIKey is MHIPHWQEOVEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-5-8-9-14(4)12-17-13-15(6-2)10-11-16(17)7-3/h10-11,13-14H,5-7,12H2,1-4H3.
What are the key properties of 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene?
1,4-diethyl-2-(2-methylhex-3-ynyl)benzene has a molecular weight of 228.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2-(2-methylhex-3-ynyl)benzene is sourced from PubChem (CID 83920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).