2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol

C10H16O2 — CID 25258849

IUPAC2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol
SMILESC=CC/C=C\CC1OC1CCO
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-9-10(12-9)7-8-11/h2,4-5,9-11H,1,3,6-8H2/b5-4-
InChIKeySEWWZGYVZOOBIY-PLNGDYQASA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds6

About 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol

2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol (PubChem CID 25258849) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol
PubChem CID25258849
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol
SMILESC=CC/C=C\CC1OC1CCO
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-9-10(12-9)7-8-11/h2,4-5,9-11H,1,3,6-8H2/b5-4-
InChIKeySEWWZGYVZOOBIY-PLNGDYQASA-N
XLogP1.66
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(Oxiran-2-yl)pent-4-en-2-ol
CID 13895982
(R*,R*)-alpha-2-propenyloxiraneethanol
CID 13895984
(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 15690750
(2S)-1-[(2S)-oxiran-2-yl]pent-4-en-2-ol
CID 11105384
[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
CID 134880986
(2S)-1-[(2R,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 134888566
[3-[(Z)-hex-3-enyl]oxiran-2-yl]methanol
CID 134889551
[(2S,3S)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
CID 134896318
(2S)-1-[(2S,3S)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 135076867
(E,2R)-1-[(2R)-oxiran-2-yl]-6-trimethylsilylhex-4-en-2-ol
CID 154710790
7-(3-Ethyloxiran-2-yl)hept-5-en-3-ol
CID 170848463
[3-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxiran-2-yl]methanol
CID 132556361

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol?
The IUPAC name of 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol (CID 25258849) is 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol.
What is the SMILES notation for 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol?
The canonical SMILES for 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol is C=CC/C=C\CC1OC1CCO.
What is the InChIKey of 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol?
The InChIKey is SEWWZGYVZOOBIY-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-6-9-10(12-9)7-8-11/h2,4-5,9-11H,1,3,6-8H2/b5-4-.
What are the key properties of 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol?
2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2Z)-hexa-2,5-dienyl]oxiran-2-yl]ethanol is sourced from PubChem (CID 25258849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).