2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol

C13H24O2 — CID 139967974

IUPAC2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol
SMILESCCCCCC1OC1CC1CC1CCO
InChIInChI=1S/C13H24O2/c1-2-3-4-5-12-13(15-12)9-11-8-10(11)6-7-14/h10-14H,2-9H2,1H3
InChIKeyPCMWBUQCWXRMEN-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds8

About 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol

2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol (PubChem CID 139967974) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol
PubChem CID139967974
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol
SMILESCCCCCC1OC1CC1CC1CCO
InChIInChI=1S/C13H24O2/c1-2-3-4-5-12-13(15-12)9-11-8-10(11)6-7-14/h10-14H,2-9H2,1H3
InChIKeyPCMWBUQCWXRMEN-UHFFFAOYSA-N
XLogP2.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]ethanol
CID 139967956
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane
CID 88536116
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol (CID 139967974) is 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol is CCCCCC1OC1CC1CC1CCO.
What is the InChIKey of 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol?
The InChIKey is PCMWBUQCWXRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-12-13(15-12)9-11-8-10(11)6-7-14/h10-14H,2-9H2,1H3.
What are the key properties of 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol?
2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-pentyloxiran-2-yl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 139967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).