(2R,3S)-2-ethenyl-3-heptyloxirane

C11H20O — CID 100956018

IUPAC(2R,3S)-2-ethenyl-3-heptyloxirane
SMILESC=C[C@H]1O[C@H]1CCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h4,10-11H,2-3,5-9H2,1H3/t10-,11+/m1/s1
InChIKeyAFJNBWVDBYUPQJ-MNOVXSKESA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds7

About (2R,3S)-2-ethenyl-3-heptyloxirane

(2R,3S)-2-ethenyl-3-heptyloxirane (PubChem CID 100956018) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-3-heptyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-3-heptyloxirane
PubChem CID100956018
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R,3S)-2-ethenyl-3-heptyloxirane
SMILESC=C[C@H]1O[C@H]1CCCCCCC
InChIInChI=1S/C11H20O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h4,10-11H,2-3,5-9H2,1H3/t10-,11+/m1/s1
InChIKeyAFJNBWVDBYUPQJ-MNOVXSKESA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(7-Octenyl)oxirane
CID 543758
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
2-hept-6-enyl-3-[(2Z,5E)-octa-2,5-dienyl]oxirane
CID 177644771
(2R,3R)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 162921617
(2R,3S)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 163185194
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
1-Nonen-3-ol, methyl ether
CID 12563924
4-Methoxy dec-1-ene
CID 11829889
3-Methoxyoct-1-ene
CID 20320211

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-3-heptyloxirane?
The IUPAC name of (2R,3S)-2-ethenyl-3-heptyloxirane (CID 100956018) is (2R,3S)-2-ethenyl-3-heptyloxirane.
What is the SMILES notation for (2R,3S)-2-ethenyl-3-heptyloxirane?
The canonical SMILES for (2R,3S)-2-ethenyl-3-heptyloxirane is C=C[C@H]1O[C@H]1CCCCCCC.
What is the InChIKey of (2R,3S)-2-ethenyl-3-heptyloxirane?
The InChIKey is AFJNBWVDBYUPQJ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20O/c1-3-5-6-7-8-9-11-10(4-2)12-11/h4,10-11H,2-3,5-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-2-ethenyl-3-heptyloxirane?
(2R,3S)-2-ethenyl-3-heptyloxirane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-3-heptyloxirane is sourced from PubChem (CID 100956018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).