2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane

C26H44O8 — CID 88825288

IUPAC2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane
SMILESCCCCCC(CC(OCC1CO1)C1(OCC2CO2)CCC(OCC2CO2)CC1)OCC1CO1
InChIInChI=1S/C26H44O8/c1-2-3-4-5-20(28-12-22-14-30-22)10-25(33-17-23-15-31-23)26(34-18-24-16-32-24)8-6-19(7-9-26)27-11-21-13-29-21/h19-25H,2-18H2,1H3
InChIKeyMCILOFXJWXYUNB-UHFFFAOYSA-N
MW484.63 g/mol
LogP3.04
Rot. Bonds19

About 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane

2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane (PubChem CID 88825288) has the molecular formula C26H44O8 and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane
PubChem CID88825288
Molecular FormulaC26H44O8
Molecular Weight484.63 g/mol
Exact Mass484.30
IUPAC Name2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane
SMILESCCCCCC(CC(OCC1CO1)C1(OCC2CO2)CCC(OCC2CO2)CC1)OCC1CO1
InChIInChI=1S/C26H44O8/c1-2-3-4-5-20(28-12-22-14-30-22)10-25(33-17-23-15-31-23)26(34-18-24-16-32-24)8-6-19(7-9-26)27-11-21-13-29-21/h19-25H,2-18H2,1H3
InChIKeyMCILOFXJWXYUNB-UHFFFAOYSA-N
XLogP3.04
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane with MolForge

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Related Compounds

2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(1-bromoheptoxymethyl)oxirane
CID 88600331
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane (CID 88825288) is 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane is CCCCCC(CC(OCC1CO1)C1(OCC2CO2)CCC(OCC2CO2)CC1)OCC1CO1.
What is the InChIKey of 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane?
The InChIKey is MCILOFXJWXYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O8/c1-2-3-4-5-20(28-12-22-14-30-22)10-25(33-17-23-15-31-23)26(34-18-24-16-32-24)8-6-19(7-9-26)27-11-21-13-29-21/h19-25H,2-18H2,1H3.
What are the key properties of 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane?
2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane has a molecular weight of 484.63 g/mol, XLogP of 3.04, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1,3-bis(oxiran-2-ylmethoxy)octyl]-4-(oxiran-2-ylmethoxy)cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 88825288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).