2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane

C18H34O2 — CID 143254980

IUPAC2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
SMILESCCCCCCCC1(CCC2CCCC2)OCCCO1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-8-13-18(19-15-9-16-20-18)14-12-17-10-6-7-11-17/h17H,2-16H2,1H3
InChIKeyDHXQJVWJAVFUEW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.45
Rot. Bonds9

About 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane

2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane (PubChem CID 143254980) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
PubChem CID143254980
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
SMILESCCCCCCCC1(CCC2CCCC2)OCCCO1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-8-13-18(19-15-9-16-20-18)14-12-17-10-6-7-11-17/h17H,2-16H2,1H3
InChIKeyDHXQJVWJAVFUEW-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
(4R)-4-[2-(2-heptyl-1,3-dioxan-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 90222652
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 144503975
2-hexyl-2-(2-methylpropyl)-1,3-dioxane
CID 89440656
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane?
The IUPAC name of 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane (CID 143254980) is 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane.
What is the SMILES notation for 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane?
The canonical SMILES for 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane is CCCCCCCC1(CCC2CCCC2)OCCCO1.
What is the InChIKey of 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane?
The InChIKey is DHXQJVWJAVFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-8-13-18(19-15-9-16-20-18)14-12-17-10-6-7-11-17/h17H,2-16H2,1H3.
What are the key properties of 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane?
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane has a molecular weight of 282.47 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane is sourced from PubChem (CID 143254980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).