[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol

C14H26O3 — CID 10890082

IUPAC[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@H]1CCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h12-15H,1-11H2/t12-,13-,14?/m1/s1
InChIKeyINTCKPZURIDDKH-ZFXTZCCVSA-N
MW242.36 g/mol
LogP2.72
Rot. Bonds8

About [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol

[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol (PubChem CID 10890082) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
PubChem CID10890082
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@H]1CCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h12-15H,1-11H2/t12-,13-,14?/m1/s1
InChIKeyINTCKPZURIDDKH-ZFXTZCCVSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-[3-(oxan-2-yloxy)propoxymethyl]cyclopropyl]methanol
CID 166525107
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
CID 85231493
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol (CID 10890082) is [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol is OC[C@H]1C[C@H]1CCCCCOC1CCCCO1.
What is the InChIKey of [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol?
The InChIKey is INTCKPZURIDDKH-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H26O3/c15-11-13-10-12(13)6-2-1-4-8-16-14-7-3-5-9-17-14/h12-15H,1-11H2/t12-,13-,14?/m1/s1.
What are the key properties of [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol?
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol has a molecular weight of 242.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol is sourced from PubChem (CID 10890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).