(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol

C10H20O2 — CID 10975958

IUPAC(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
SMILESCCCCCCC[C@H](O)[C@@H]1CO1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGHYVSUWHOOJVGV-UWVGGRQHSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds7

About (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol

(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol (PubChem CID 10975958) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
PubChem CID10975958
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
SMILESCCCCCCC[C@H](O)[C@@H]1CO1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyGHYVSUWHOOJVGV-UWVGGRQHSA-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

1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
6-methoxy-1-[(2S,4R)-4-tetradecyloxolan-2-yl]hexan-1-ol
CID 54082063
2-(1-fluoroheptyl)oxirane
CID 57127668
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol?
The IUPAC name of (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol (CID 10975958) is (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol.
What is the SMILES notation for (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol?
The canonical SMILES for (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol is CCCCCCC[C@H](O)[C@@H]1CO1.
What is the InChIKey of (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol?
The InChIKey is GHYVSUWHOOJVGV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-9(11)10-8-12-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol?
(1S)-1-[(2S)-oxiran-2-yl]octan-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 (1S)-1-[(2S)-oxiran-2-yl]octan-1-ol is sourced from PubChem (CID 10975958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).