1-(3-hexyloxiran-2-yl)hexan-1-ol

C14H28O2 — CID 123301383

IUPAC1-(3-hexyloxiran-2-yl)hexan-1-ol
SMILESCCCCCCC1OC1C(O)CCCCC
InChIInChI=1S/C14H28O2/c1-3-5-7-9-11-13-14(16-13)12(15)10-8-6-4-2/h12-15H,3-11H2,1-2H3
InChIKeyFUKDJCKDBAYLLI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.67
Rot. Bonds10

About 1-(3-hexyloxiran-2-yl)hexan-1-ol

1-(3-hexyloxiran-2-yl)hexan-1-ol (PubChem CID 123301383) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3-hexyloxiran-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-hexyloxiran-2-yl)hexan-1-ol
PubChem CID123301383
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(3-hexyloxiran-2-yl)hexan-1-ol
SMILESCCCCCCC1OC1C(O)CCCCC
InChIInChI=1S/C14H28O2/c1-3-5-7-9-11-13-14(16-13)12(15)10-8-6-4-2/h12-15H,3-11H2,1-2H3
InChIKeyFUKDJCKDBAYLLI-UHFFFAOYSA-N
XLogP3.67
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.67
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

1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
2-octyl-3-propan-2-yloxirane
CID 123177081
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(E,1R)-1-[(2R,3S)-3-pentyloxiran-2-yl]but-2-en-1-ol
CID 10679063
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(3-pentadecyloxiran-2-yl)-phenylmethanol
CID 57004693
(4S,5R)-5-(1-hydroxyheptadecyl)oxolane-2,4-diol
CID 70447721
(2S,4R,5R)-5-(1-hydroxyheptadecyl)oxolane-2,4-diol
CID 70448773
(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 1-(3-hexyloxiran-2-yl)hexan-1-ol?
The IUPAC name of 1-(3-hexyloxiran-2-yl)hexan-1-ol (CID 123301383) is 1-(3-hexyloxiran-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-hexyloxiran-2-yl)hexan-1-ol?
The canonical SMILES for 1-(3-hexyloxiran-2-yl)hexan-1-ol is CCCCCCC1OC1C(O)CCCCC.
What is the InChIKey of 1-(3-hexyloxiran-2-yl)hexan-1-ol?
The InChIKey is FUKDJCKDBAYLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-7-9-11-13-14(16-13)12(15)10-8-6-4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(3-hexyloxiran-2-yl)hexan-1-ol?
1-(3-hexyloxiran-2-yl)hexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hexyloxiran-2-yl)hexan-1-ol is sourced from PubChem (CID 123301383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).