2-pent-3-en-2-yl-2-pentyl-1,3-dioxane

C14H26O2 — CID 70159714

IUPAC2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
SMILESCC=CC(C)C1(CCCCC)OCCCO1
InChIInChI=1S/C14H26O2/c1-4-6-7-10-14(13(3)9-5-2)15-11-8-12-16-14/h5,9,13H,4,6-8,10-12H2,1-3H3
InChIKeyDNXONZNCQKNICR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds6

About 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane

2-pent-3-en-2-yl-2-pentyl-1,3-dioxane (PubChem CID 70159714) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane.

Molecular Properties

Compound Name2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
PubChem CID70159714
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
SMILESCC=CC(C)C1(CCCCC)OCCCO1
InChIInChI=1S/C14H26O2/c1-4-6-7-10-14(13(3)9-5-2)15-11-8-12-16-14/h5,9,13H,4,6-8,10-12H2,1-3H3
InChIKeyDNXONZNCQKNICR-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.91
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-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-hexyl-2-(2-methylpropyl)-1,3-dioxane
CID 89440656
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
8-(2-heptan-2-yl-1,3-dioxolan-2-yl)octanal
CID 87856068
1,1-dipentylcyclononane
CID 169026027
2-heptyl-2-methyloxolane
CID 66630336
2-hexyl-2-propan-2-yloxirane
CID 170634762
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-hexyl-2-methyloxane
CID 67835603
2-pentyloxan-2-ol
CID 10035063

Frequently Asked Questions

What is the IUPAC name of 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane?
The IUPAC name of 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane (CID 70159714) is 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane.
What is the SMILES notation for 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane?
The canonical SMILES for 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane is CC=CC(C)C1(CCCCC)OCCCO1.
What is the InChIKey of 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane?
The InChIKey is DNXONZNCQKNICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-10-14(13(3)9-5-2)15-11-8-12-16-14/h5,9,13H,4,6-8,10-12H2,1-3H3.
What are the key properties of 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane?
2-pent-3-en-2-yl-2-pentyl-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-en-2-yl-2-pentyl-1,3-dioxane is sourced from PubChem (CID 70159714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).