2-[8-(oxiran-2-yl)octyl]oxirane

C12H22O2 — CID 11287095

IUPAC2-[8-(oxiran-2-yl)octyl]oxirane
SMILESC(CCCCC1CO1)CCCC1CO1
InChIInChI=1S/C12H22O2/c1(3-5-7-11-9-13-11)2-4-6-8-12-10-14-12/h11-12H,1-10H2
InChIKeyGUVXYYRRJCHAJL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.90
Rot. Bonds9

About 2-[8-(oxiran-2-yl)octyl]oxirane

2-[8-(oxiran-2-yl)octyl]oxirane (PubChem CID 11287095) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[8-(oxiran-2-yl)octyl]oxirane.

Molecular Properties

Compound Name2-[8-(oxiran-2-yl)octyl]oxirane
PubChem CID11287095
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[8-(oxiran-2-yl)octyl]oxirane
SMILESC(CCCCC1CO1)CCCC1CO1
InChIInChI=1S/C12H22O2/c1(3-5-7-11-9-13-11)2-4-6-8-12-10-14-12/h11-12H,1-10H2
InChIKeyGUVXYYRRJCHAJL-UHFFFAOYSA-N
XLogP2.90
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(oxiran-2-yl)octyl]oxirane?
The IUPAC name of 2-[8-(oxiran-2-yl)octyl]oxirane (CID 11287095) is 2-[8-(oxiran-2-yl)octyl]oxirane.
What is the SMILES notation for 2-[8-(oxiran-2-yl)octyl]oxirane?
The canonical SMILES for 2-[8-(oxiran-2-yl)octyl]oxirane is C(CCCCC1CO1)CCCC1CO1.
What is the InChIKey of 2-[8-(oxiran-2-yl)octyl]oxirane?
The InChIKey is GUVXYYRRJCHAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1(3-5-7-11-9-13-11)2-4-6-8-12-10-14-12/h11-12H,1-10H2.
What are the key properties of 2-[8-(oxiran-2-yl)octyl]oxirane?
2-[8-(oxiran-2-yl)octyl]oxirane has a molecular weight of 198.31 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(oxiran-2-yl)octyl]oxirane is sourced from PubChem (CID 11287095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).