(2S)-2-(octoxymethyl)oxirane

C11H22O2 — CID 87274801

IUPAC(2S)-2-(octoxymethyl)oxirane
SMILESCCCCCCCCOC[C@@H]1CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyHRWYHCYGVIJOEC-LLVKDONJSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds9

About (2S)-2-(octoxymethyl)oxirane

(2S)-2-(octoxymethyl)oxirane (PubChem CID 87274801) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2S)-2-(octoxymethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(octoxymethyl)oxirane
PubChem CID87274801
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2S)-2-(octoxymethyl)oxirane
SMILESCCCCCCCCOC[C@@H]1CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyHRWYHCYGVIJOEC-LLVKDONJSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
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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Related Compounds

2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
2-(octadecoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 19926009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(octoxymethyl)oxirane?
The IUPAC name of (2S)-2-(octoxymethyl)oxirane (CID 87274801) is (2S)-2-(octoxymethyl)oxirane.
What is the SMILES notation for (2S)-2-(octoxymethyl)oxirane?
The canonical SMILES for (2S)-2-(octoxymethyl)oxirane is CCCCCCCCOC[C@@H]1CO1.
What is the InChIKey of (2S)-2-(octoxymethyl)oxirane?
The InChIKey is HRWYHCYGVIJOEC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-(octoxymethyl)oxirane?
(2S)-2-(octoxymethyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(octoxymethyl)oxirane is sourced from PubChem (CID 87274801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).