4-propoxyhex-1-yne

C9H16O — CID 173332850

IUPAC4-propoxyhex-1-yne
SMILESC#CCC(CC)OCCC
InChIInChI=1S/C9H16O/c1-4-7-9(6-3)10-8-5-2/h1,9H,5-8H2,2-3H3
InChIKeyGUGYKKWIKGXWPQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds5

About 4-propoxyhex-1-yne

4-propoxyhex-1-yne (PubChem CID 173332850) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-propoxyhex-1-yne.

Molecular Properties

Compound Name4-propoxyhex-1-yne
PubChem CID173332850
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-propoxyhex-1-yne
SMILESC#CCC(CC)OCCC
InChIInChI=1S/C9H16O/c1-4-7-9(6-3)10-8-5-2/h1,9H,5-8H2,2-3H3
InChIKeyGUGYKKWIKGXWPQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propoxyheptane
CID 91289422
3,3-dipropoxyprop-1-yne
CID 22737752
ethane;4-(1-propoxypropoxy)but-1-yne
CID 144667443
N-methyl-2-propoxybutan-1-amine
CID 62452056
4-propoxyhex-1-enyl hypofluorite
CID 173387860
3-(2-methoxyethoxy)pentanenitrile
CID 43175037
3-iodo-3-propoxyprop-1-yne
CID 139632124
2-propoxybutyl formate
CID 56995849
triethyl(hepta-1,6-diyn-4-yloxy)silane
CID 102524422
3-(3-methylbutoxy)pentanenitrile
CID 43367899
(4S)-4-methoxyheptadec-1-yne
CID 11558040
4-hex-5-yn-3-yloxy-4-oxobutanoic acid
CID 88616858

Frequently Asked Questions

What is the IUPAC name of 4-propoxyhex-1-yne?
The IUPAC name of 4-propoxyhex-1-yne (CID 173332850) is 4-propoxyhex-1-yne.
What is the SMILES notation for 4-propoxyhex-1-yne?
The canonical SMILES for 4-propoxyhex-1-yne is C#CCC(CC)OCCC.
What is the InChIKey of 4-propoxyhex-1-yne?
The InChIKey is GUGYKKWIKGXWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-9(6-3)10-8-5-2/h1,9H,5-8H2,2-3H3.
What are the key properties of 4-propoxyhex-1-yne?
4-propoxyhex-1-yne has a molecular weight of 140.23 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyhex-1-yne is sourced from PubChem (CID 173332850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).