[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol

C13H24O4 — CID 166525107

IUPAC[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1COCCCOC1CCCCO1
InChIInChI=1S/C13H24O4/c14-9-11-8-12(11)10-15-5-3-7-17-13-4-1-2-6-16-13/h11-14H,1-10H2/t11-,12-,13?/m1/s1
InChIKeyJAIUUMMSWPEVHV-ZNRZSNADSA-N
MW244.33 g/mol
LogP1.56
Rot. Bonds8

About [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol

[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol (PubChem CID 166525107) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol
PubChem CID166525107
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1COCCCOC1CCCCO1
InChIInChI=1S/C13H24O4/c14-9-11-8-12(11)10-15-5-3-7-17-13-4-1-2-6-16-13/h11-14H,1-10H2/t11-,12-,13?/m1/s1
InChIKeyJAIUUMMSWPEVHV-ZNRZSNADSA-N
XLogP1.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
2-(3-prop-2-ynoxypropoxy)oxane
CID 14141844
2-[3-(2-methoxyethoxy)propoxy]oxane
CID 158704924
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol (CID 166525107) is [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol is OC[C@H]1C[C@@H]1COCCCOC1CCCCO1.
What is the InChIKey of [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol?
The InChIKey is JAIUUMMSWPEVHV-ZNRZSNADSA-N. The full InChI is InChI=1S/C13H24O4/c14-9-11-8-12(11)10-15-5-3-7-17-13-4-1-2-6-16-13/h11-14H,1-10H2/t11-,12-,13?/m1/s1.
What are the key properties of [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol?
[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol has a molecular weight of 244.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 166525107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).