4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene

C17H24O2 — CID 83932021

IUPAC4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
SMILESC#CC(C)Cc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C17H24O2/c1-5-10-18-16-9-8-15(12-14(4)7-3)13-17(16)19-11-6-2/h3,8-9,13-14H,5-6,10-12H2,1-2,4H3
InChIKeyWWJPAVXPDZFQQX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.08
Rot. Bonds8

About 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene

4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene (PubChem CID 83932021) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene.

Molecular Properties

Compound Name4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
PubChem CID83932021
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
SMILESC#CC(C)Cc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C17H24O2/c1-5-10-18-16-9-8-15(12-14(4)7-3)13-17(16)19-11-6-2/h3,8-9,13-14H,5-6,10-12H2,1-2,4H3
InChIKeyWWJPAVXPDZFQQX-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
4-hex-3-ynyl-1,2-dipropoxybenzene
CID 83932024
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene?
The IUPAC name of 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene (CID 83932021) is 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene.
What is the SMILES notation for 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene?
The canonical SMILES for 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene is C#CC(C)Cc1ccc(OCCC)c(OCCC)c1.
What is the InChIKey of 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene?
The InChIKey is WWJPAVXPDZFQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-10-18-16-9-8-15(12-14(4)7-3)13-17(16)19-11-6-2/h3,8-9,13-14H,5-6,10-12H2,1-2,4H3.
What are the key properties of 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene?
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene has a molecular weight of 260.38 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene is sourced from PubChem (CID 83932021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).