(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane

C10H18O4 — CID 6993238

IUPAC(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane
SMILESC(CCOC[C@@H]1CO1)COC[C@@H]1CO1
InChIInChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2/t9-,10-/m1/s1
InChIKeySHKUUQIDMUMQQK-NXEZZACHSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds9

About (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane

(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane (PubChem CID 6993238) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane
PubChem CID6993238
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane
SMILESC(CCOC[C@@H]1CO1)COC[C@@H]1CO1
InChIInChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2/t9-,10-/m1/s1
InChIKeySHKUUQIDMUMQQK-NXEZZACHSA-N
XLogP0.60
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane?
The IUPAC name of (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane (CID 6993238) is (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane.
What is the SMILES notation for (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane?
The canonical SMILES for (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane is C(CCOC[C@@H]1CO1)COC[C@@H]1CO1.
What is the InChIKey of (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane?
The InChIKey is SHKUUQIDMUMQQK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane?
(2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane has a molecular weight of 202.25 g/mol, XLogP of 0.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[(2S)-oxiran-2-yl]methoxy]butoxymethyl]oxirane is sourced from PubChem (CID 6993238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).