2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine

C16H29NO4 — CID 174996449

IUPAC2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
SMILESC1CC(CC2CO2)C(CC2CO2)CC1OCC1CO1.CN
InChIInChI=1S/C15H24O4.CH5N/c1-2-12(16-8-15-9-19-15)4-11(5-14-7-18-14)10(1)3-13-6-17-13;1-2/h10-15H,1-9H2;2H2,1H3
InChIKeyWWLRIRLBQOOMKA-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.34
Rot. Bonds7

About 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine

2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine (PubChem CID 174996449) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine.

Molecular Properties

Compound Name2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
PubChem CID174996449
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
SMILESC1CC(CC2CO2)C(CC2CO2)CC1OCC1CO1.CN
InChIInChI=1S/C15H24O4.CH5N/c1-2-12(16-8-15-9-19-15)4-11(5-14-7-18-14)10(1)3-13-6-17-13;1-2/h10-15H,1-9H2;2H2,1H3
InChIKeyWWLRIRLBQOOMKA-UHFFFAOYSA-N
XLogP1.34
TPSA72.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine?
The IUPAC name of 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine (CID 174996449) is 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine.
What is the SMILES notation for 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine?
The canonical SMILES for 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine is C1CC(CC2CO2)C(CC2CO2)CC1OCC1CO1.CN.
What is the InChIKey of 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine?
The InChIKey is WWLRIRLBQOOMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4.CH5N/c1-2-12(16-8-15-9-19-15)4-11(5-14-7-18-14)10(1)3-13-6-17-13;1-2/h10-15H,1-9H2;2H2,1H3.
What are the key properties of 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine?
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine has a molecular weight of 299.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine is sourced from PubChem (CID 174996449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).