2-pent-4-enyl-1,4-dioxane

C9H16O2 — CID 174797521

IUPAC2-pent-4-enyl-1,4-dioxane
SMILESC=CCCCC1COCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9H,1,3-8H2
InChIKeyCBFLZWQQJJYKBV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds4

About 2-pent-4-enyl-1,4-dioxane

2-pent-4-enyl-1,4-dioxane (PubChem CID 174797521) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-pent-4-enyl-1,4-dioxane.

Molecular Properties

Compound Name2-pent-4-enyl-1,4-dioxane
PubChem CID174797521
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-pent-4-enyl-1,4-dioxane
SMILESC=CCCCC1COCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9H,1,3-8H2
InChIKeyCBFLZWQQJJYKBV-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
2-(3-bromopropyl)-1,4-dioxane
CID 126971311
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
2-pentadecyl-1,4-dioxane
CID 150124188
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
1-(1,4-dioxan-2-yl)pent-4-en-1-ol
CID 65350592

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyl-1,4-dioxane?
The IUPAC name of 2-pent-4-enyl-1,4-dioxane (CID 174797521) is 2-pent-4-enyl-1,4-dioxane.
What is the SMILES notation for 2-pent-4-enyl-1,4-dioxane?
The canonical SMILES for 2-pent-4-enyl-1,4-dioxane is C=CCCCC1COCCO1.
What is the InChIKey of 2-pent-4-enyl-1,4-dioxane?
The InChIKey is CBFLZWQQJJYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-9-8-10-6-7-11-9/h2,9H,1,3-8H2.
What are the key properties of 2-pent-4-enyl-1,4-dioxane?
2-pent-4-enyl-1,4-dioxane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-1,4-dioxane is sourced from PubChem (CID 174797521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).