(2S,4S)-2-(butoxymethyl)-4-methyloxolane

C10H20O2 — CID 89149018

IUPAC(2S,4S)-2-(butoxymethyl)-4-methyloxolane
SMILESCCCCOC[C@@H]1C[C@H](C)CO1
InChIInChI=1S/C10H20O2/c1-3-4-5-11-8-10-6-9(2)7-12-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyMWSRZTOLLBFRPH-UWVGGRQHSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds5

About (2S,4S)-2-(butoxymethyl)-4-methyloxolane

(2S,4S)-2-(butoxymethyl)-4-methyloxolane (PubChem CID 89149018) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,4S)-2-(butoxymethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2S,4S)-2-(butoxymethyl)-4-methyloxolane
PubChem CID89149018
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,4S)-2-(butoxymethyl)-4-methyloxolane
SMILESCCCCOC[C@@H]1C[C@H](C)CO1
InChIInChI=1S/C10H20O2/c1-3-4-5-11-8-10-6-9(2)7-12-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyMWSRZTOLLBFRPH-UWVGGRQHSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Butoxymethyl)tetrahydrofuran
CID 4581212
Tetrahydrofurfuryl isopropyl ether
CID 13763952
CID 59905782
CID 59905782
4-(Fluoromethyl)-2-(methoxymethyl)-2-methyloxolane
CID 141011045
CID 173646226
CID 173646226
CID 173646228
CID 173646228
(2S,4S)-4-fluoro-2-(methoxymethyl)-4-methyloxolane
CID 173671049
2-(tert-Butoxymethyl)oxolane
CID 18618941
2-(3-Methylbutan-2-yloxymethyl)oxolane
CID 77457674
4-Butyl-2-(methoxymethyl)oxolane
CID 140190805
3-Butyl-2-(methoxymethyl)oxolane
CID 140190927
3-Ethyl-2-(methoxymethyl)oxolane
CID 140191019

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(butoxymethyl)-4-methyloxolane?
The IUPAC name of (2S,4S)-2-(butoxymethyl)-4-methyloxolane (CID 89149018) is (2S,4S)-2-(butoxymethyl)-4-methyloxolane.
What is the SMILES notation for (2S,4S)-2-(butoxymethyl)-4-methyloxolane?
The canonical SMILES for (2S,4S)-2-(butoxymethyl)-4-methyloxolane is CCCCOC[C@@H]1C[C@H](C)CO1.
What is the InChIKey of (2S,4S)-2-(butoxymethyl)-4-methyloxolane?
The InChIKey is MWSRZTOLLBFRPH-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-11-8-10-6-9(2)7-12-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-2-(butoxymethyl)-4-methyloxolane?
(2S,4S)-2-(butoxymethyl)-4-methyloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(butoxymethyl)-4-methyloxolane is sourced from PubChem (CID 89149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).