2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane

C24H46O3 — CID 141006538

IUPAC2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
SMILESCCCCCCCC1(OC2(CCCCCCC)CCCCO2)CCCCO1
InChIInChI=1S/C24H46O3/c1-3-5-7-9-11-17-23(19-13-15-21-25-23)27-24(20-14-16-22-26-24)18-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyULMZLSOQFQNHAQ-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.52
Rot. Bonds14

About 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane

2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane (PubChem CID 141006538) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane.

Molecular Properties

Compound Name2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
PubChem CID141006538
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
SMILESCCCCCCCC1(OC2(CCCCCCC)CCCCO2)CCCCO1
InChIInChI=1S/C24H46O3/c1-3-5-7-9-11-17-23(19-13-15-21-25-23)27-24(20-14-16-22-26-24)18-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyULMZLSOQFQNHAQ-UHFFFAOYSA-N
XLogP7.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-bromooctyl)-2-[2-(8-bromooctyl)oxan-2-yl]oxyoxane
CID 150900393
azane;sulfuric acid;2-undecyl-2-(2-undecyloxetan-2-yl)oxyoxetane
CID 173007559
2-dec-2-ynyl-2-(2-dec-2-ynyloxan-2-yl)oxyoxane
CID 68662932
2-hexyl-2-methyloxane
CID 67835603
(2-hexyloxan-2-yl)silane
CID 123313847
2-pentyloxan-2-ol
CID 10035063
dimethyl-(2-nonadecyloxan-2-yl)silane
CID 123381565
methyl-(2-octyloxan-2-yl)silane
CID 123518274
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptyl-2-methyloxolane
CID 66630336
1-methyl-1-undecylcyclohexane
CID 86137257
1-chloro-1-hexylcyclohexane
CID 57072771

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane?
The IUPAC name of 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane (CID 141006538) is 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane.
What is the SMILES notation for 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane?
The canonical SMILES for 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane is CCCCCCCC1(OC2(CCCCCCC)CCCCO2)CCCCO1.
What is the InChIKey of 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane?
The InChIKey is ULMZLSOQFQNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-3-5-7-9-11-17-23(19-13-15-21-25-23)27-24(20-14-16-22-26-24)18-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane?
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane has a molecular weight of 382.63 g/mol, XLogP of 7.52, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane is sourced from PubChem (CID 141006538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).