4-hex-3-ynyl-1,2-dipropoxybenzene

C18H26O2 — CID 83932024

IUPAC4-hex-3-ynyl-1,2-dipropoxybenzene
SMILESCCC#CCCc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C18H26O2/c1-4-7-8-9-10-16-11-12-17(19-13-5-2)18(15-16)20-14-6-3/h11-12,15H,4-6,9-10,13-14H2,1-3H3
InChIKeyPGGNUTDBHVJVFL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.61
Rot. Bonds8

About 4-hex-3-ynyl-1,2-dipropoxybenzene

4-hex-3-ynyl-1,2-dipropoxybenzene (PubChem CID 83932024) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-hex-3-ynyl-1,2-dipropoxybenzene.

Molecular Properties

Compound Name4-hex-3-ynyl-1,2-dipropoxybenzene
PubChem CID83932024
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-hex-3-ynyl-1,2-dipropoxybenzene
SMILESCCC#CCCc1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C18H26O2/c1-4-7-8-9-10-16-11-12-17(19-13-5-2)18(15-16)20-14-6-3/h11-12,15H,4-6,9-10,13-14H2,1-3H3
InChIKeyPGGNUTDBHVJVFL-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.61
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

6-(3-ethoxy-4-propoxyphenyl)-N,N-diethylhex-2-yn-1-amine
CID 21485521
5-(3,4-dipropoxyphenyl)pentane-2,3-diol
CID 83932064
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65301015
1,2-diethoxy-4-propylbenzene
CID 3995471
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
CID 83932021
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
3,4-dipropoxybenzenethiol
CID 28939740
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504

Frequently Asked Questions

What is the IUPAC name of 4-hex-3-ynyl-1,2-dipropoxybenzene?
The IUPAC name of 4-hex-3-ynyl-1,2-dipropoxybenzene (CID 83932024) is 4-hex-3-ynyl-1,2-dipropoxybenzene.
What is the SMILES notation for 4-hex-3-ynyl-1,2-dipropoxybenzene?
The canonical SMILES for 4-hex-3-ynyl-1,2-dipropoxybenzene is CCC#CCCc1ccc(OCCC)c(OCCC)c1.
What is the InChIKey of 4-hex-3-ynyl-1,2-dipropoxybenzene?
The InChIKey is PGGNUTDBHVJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-7-8-9-10-16-11-12-17(19-13-5-2)18(15-16)20-14-6-3/h11-12,15H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 4-hex-3-ynyl-1,2-dipropoxybenzene?
4-hex-3-ynyl-1,2-dipropoxybenzene has a molecular weight of 274.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-3-ynyl-1,2-dipropoxybenzene is sourced from PubChem (CID 83932024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).