(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane

C10H20O3 — CID 14928829

IUPAC(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
SMILESCCCCC[C@@H]1O[C@@H]1COCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-9-10(13-9)7-12-8-11-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWUVFRVNAKIHKQW-VHSXEESVSA-N
MW188.27 g/mol
LogP1.95
Rot. Bonds8

About (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane

(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane (PubChem CID 14928829) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
PubChem CID14928829
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
SMILESCCCCC[C@@H]1O[C@@H]1COCOC
InChIInChI=1S/C10H20O3/c1-3-4-5-6-9-10(13-9)7-12-8-11-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWUVFRVNAKIHKQW-VHSXEESVSA-N
XLogP1.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-3-pentyloxirane
CID 18795099
(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
CID 15326198
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
CID 88561804
(2S,3R)-2-(2-methoxyethyl)-3-octyloxirane
CID 71399049
2-butyl-3-undecyloxirane
CID 88518775
(3-hexyloxiran-2-yl)methyl formate
CID 101414177
2-(methoxymethoxymethyl)-3-methyloxirane
CID 88561796
2-ethyl-3-henicosyloxirane
CID 20501424

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane?
The IUPAC name of (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane (CID 14928829) is (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane.
What is the SMILES notation for (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane?
The canonical SMILES for (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane is CCCCC[C@@H]1O[C@@H]1COCOC.
What is the InChIKey of (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane?
The InChIKey is WUVFRVNAKIHKQW-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-9-10(13-9)7-12-8-11-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane?
(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane has a molecular weight of 188.27 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane is sourced from PubChem (CID 14928829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).