3-(3-pentyloxiran-2-yl)propan-1-ol

C10H20O2 — CID 18506419

IUPAC3-(3-pentyloxiran-2-yl)propan-1-ol
SMILESCCCCCC1OC1CCCO
InChIInChI=1S/C10H20O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h9-11H,2-8H2,1H3
InChIKeyCJNCDDKKYUTFEF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds7

About 3-(3-pentyloxiran-2-yl)propan-1-ol

3-(3-pentyloxiran-2-yl)propan-1-ol (PubChem CID 18506419) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(3-pentyloxiran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-pentyloxiran-2-yl)propan-1-ol
PubChem CID18506419
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(3-pentyloxiran-2-yl)propan-1-ol
SMILESCCCCCC1OC1CCCO
InChIInChI=1S/C10H20O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h9-11H,2-8H2,1H3
InChIKeyCJNCDDKKYUTFEF-UHFFFAOYSA-N
XLogP2.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
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

9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
2-[(2S,3S)-3-pentyloxiran-2-yl]ethanol
CID 102157766
[(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
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
2-butyl-3-undecyloxirane
CID 88518775
2-ethyl-3-henicosyloxirane
CID 20501424
(2S,3R)-2-(bromomethyl)-3-pentyloxirane
CID 102212673

Frequently Asked Questions

What is the IUPAC name of 3-(3-pentyloxiran-2-yl)propan-1-ol?
The IUPAC name of 3-(3-pentyloxiran-2-yl)propan-1-ol (CID 18506419) is 3-(3-pentyloxiran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3-pentyloxiran-2-yl)propan-1-ol?
The canonical SMILES for 3-(3-pentyloxiran-2-yl)propan-1-ol is CCCCCC1OC1CCCO.
What is the InChIKey of 3-(3-pentyloxiran-2-yl)propan-1-ol?
The InChIKey is CJNCDDKKYUTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 3-(3-pentyloxiran-2-yl)propan-1-ol?
3-(3-pentyloxiran-2-yl)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pentyloxiran-2-yl)propan-1-ol is sourced from PubChem (CID 18506419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).