2-(3-pentyldioxiran-3-yl)oxyethanol

C8H16O4 — CID 88713180

IUPAC2-(3-pentyldioxiran-3-yl)oxyethanol
SMILESCCCCCC1(OCCO)OO1
InChIInChI=1S/C8H16O4/c1-2-3-4-5-8(11-12-8)10-7-6-9/h9H,2-7H2,1H3
InChIKeyJJZXMVPFBBDKSH-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.19
Rot. Bonds7

About 2-(3-pentyldioxiran-3-yl)oxyethanol

2-(3-pentyldioxiran-3-yl)oxyethanol (PubChem CID 88713180) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(3-pentyldioxiran-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-pentyldioxiran-3-yl)oxyethanol
PubChem CID88713180
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(3-pentyldioxiran-3-yl)oxyethanol
SMILESCCCCCC1(OCCO)OO1
InChIInChI=1S/C8H16O4/c1-2-3-4-5-8(11-12-8)10-7-6-9/h9H,2-7H2,1H3
InChIKeyJJZXMVPFBBDKSH-UHFFFAOYSA-N
XLogP1.19
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-heptadecyldioxiran-3-yl)oxysilane
CID 173121350
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-decoxy-2-tridecyl-1,3-dioxan-5-one
CID 68854407
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
2-heptoxyethanol
CID 23889
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
decan-1-ol;hydrofluoride
CID 158778674

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentyldioxiran-3-yl)oxyethanol?
The IUPAC name of 2-(3-pentyldioxiran-3-yl)oxyethanol (CID 88713180) is 2-(3-pentyldioxiran-3-yl)oxyethanol.
What is the SMILES notation for 2-(3-pentyldioxiran-3-yl)oxyethanol?
The canonical SMILES for 2-(3-pentyldioxiran-3-yl)oxyethanol is CCCCCC1(OCCO)OO1.
What is the InChIKey of 2-(3-pentyldioxiran-3-yl)oxyethanol?
The InChIKey is JJZXMVPFBBDKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-3-4-5-8(11-12-8)10-7-6-9/h9H,2-7H2,1H3.
What are the key properties of 2-(3-pentyldioxiran-3-yl)oxyethanol?
2-(3-pentyldioxiran-3-yl)oxyethanol has a molecular weight of 176.21 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentyldioxiran-3-yl)oxyethanol is sourced from PubChem (CID 88713180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).