2-[10-(oxiran-2-yl)decyl]oxirane

C14H26O2 — CID 6455150

IUPAC2-[10-(oxiran-2-yl)decyl]oxirane
SMILESC(CCCCCC1CO1)CCCCC1CO1
InChIInChI=1S/C14H26O2/c1(3-5-7-9-13-11-15-13)2-4-6-8-10-14-12-16-14/h13-14H,1-12H2
InChIKeyGMOUFZQRQCICEI-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.68
Rot. Bonds11

About 2-[10-(oxiran-2-yl)decyl]oxirane

2-[10-(oxiran-2-yl)decyl]oxirane (PubChem CID 6455150) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[10-(oxiran-2-yl)decyl]oxirane.

Molecular Properties

Compound Name2-[10-(oxiran-2-yl)decyl]oxirane
PubChem CID6455150
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[10-(oxiran-2-yl)decyl]oxirane
SMILESC(CCCCCC1CO1)CCCCC1CO1
InChIInChI=1S/C14H26O2/c1(3-5-7-9-13-11-15-13)2-4-6-8-10-14-12-16-14/h13-14H,1-12H2
InChIKeyGMOUFZQRQCICEI-UHFFFAOYSA-N
XLogP3.68
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.68
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-[10-(oxiran-2-yl)decyl]oxirane?
The IUPAC name of 2-[10-(oxiran-2-yl)decyl]oxirane (CID 6455150) is 2-[10-(oxiran-2-yl)decyl]oxirane.
What is the SMILES notation for 2-[10-(oxiran-2-yl)decyl]oxirane?
The canonical SMILES for 2-[10-(oxiran-2-yl)decyl]oxirane is C(CCCCCC1CO1)CCCCC1CO1.
What is the InChIKey of 2-[10-(oxiran-2-yl)decyl]oxirane?
The InChIKey is GMOUFZQRQCICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1(3-5-7-9-13-11-15-13)2-4-6-8-10-14-12-16-14/h13-14H,1-12H2.
What are the key properties of 2-[10-(oxiran-2-yl)decyl]oxirane?
2-[10-(oxiran-2-yl)decyl]oxirane has a molecular weight of 226.36 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(oxiran-2-yl)decyl]oxirane is sourced from PubChem (CID 6455150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).