[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol

C12H22O2 — CID 139967945

IUPAC[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol
SMILESCCCCCCC1OC1C1CC1CO
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-11-12(14-11)10-7-9(10)8-13/h9-13H,2-8H2,1H3
InChIKeyZUWNTAJAUPNGNA-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds7

About [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol

[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol (PubChem CID 139967945) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol
PubChem CID139967945
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol
SMILESCCCCCCC1OC1C1CC1CO
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-11-12(14-11)10-7-9(10)8-13/h9-13H,2-8H2,1H3
InChIKeyZUWNTAJAUPNGNA-UHFFFAOYSA-N
XLogP2.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
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

[(2S,3R)-3-[(2R,3S)-3-pentyloxiran-2-yl]oxiran-2-yl]methanol
CID 11052349
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
2-(5-butyl-2-hydroxy-4-pentylcyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70658840
[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929

Frequently Asked Questions

What is the IUPAC name of [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol?
The IUPAC name of [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol (CID 139967945) is [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol.
What is the SMILES notation for [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol?
The canonical SMILES for [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol is CCCCCCC1OC1C1CC1CO.
What is the InChIKey of [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol?
The InChIKey is ZUWNTAJAUPNGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-11-12(14-11)10-7-9(10)8-13/h9-13H,2-8H2,1H3.
What are the key properties of [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol?
[2-(3-hexyloxiran-2-yl)cyclopropyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hexyloxiran-2-yl)cyclopropyl]methanol is sourced from PubChem (CID 139967945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).