(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane

C19H34O2 — CID 23428201

IUPAC(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
SMILESC=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCC
InChIInChI=1S/C19H34O2/c1-3-5-7-8-9-10-12-14-17-19(21-17)15-18-16(20-18)13-11-6-4-2/h3,16-19H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1
InChIKeyFTZXJBAYTPNIQD-YDZRNGNQSA-N
MW294.48 g/mol
LogP5.41
Rot. Bonds14

About (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane

(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane (PubChem CID 23428201) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane.

Molecular Properties

Compound Name(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
PubChem CID23428201
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
SMILESC=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCC
InChIInChI=1S/C19H34O2/c1-3-5-7-8-9-10-12-14-17-19(21-17)15-18-16(20-18)13-11-6-4-2/h3,16-19H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1
InChIKeyFTZXJBAYTPNIQD-YDZRNGNQSA-N
XLogP5.41
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane?
The IUPAC name of (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane (CID 23428201) is (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane.
What is the SMILES notation for (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane?
The canonical SMILES for (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane is C=CCCCCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCC.
What is the InChIKey of (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane?
The InChIKey is FTZXJBAYTPNIQD-YDZRNGNQSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-7-8-9-10-12-14-17-19(21-17)15-18-16(20-18)13-11-6-4-2/h3,16-19H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1.
What are the key properties of (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane?
(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane has a molecular weight of 294.48 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane is sourced from PubChem (CID 23428201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).