(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane

C11H20O2 — CID 146169551

IUPAC(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane
SMILESC=CCCCCC[C@H]1O[C@@H]1COC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-10-11(13-10)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyOLUWIJWJKGBXGC-GHMZBOCLSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds8

About (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane

(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane (PubChem CID 146169551) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane
PubChem CID146169551
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane
SMILESC=CCCCCC[C@H]1O[C@@H]1COC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-10-11(13-10)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyOLUWIJWJKGBXGC-GHMZBOCLSA-N
XLogP2.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
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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Related Compounds

(7-Octenyl)oxirane
CID 543758
Octadec-9-enyl glycidyl ether
CID 62165
Oxirane, 2-(((9Z)-9-octadecen-1-yloxy)methyl)-
CID 6435878
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-[[(E)-octadec-9-enoxy]methyl]oxirane
CID 13374780
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
(R,Z)-2-((octadec-9-enyloxy)methyl)oxirane
CID 53488097
Oxirane, [(10-undecenyloxy)methyl]-
CID 10353667
2-Dec-9-enyloxirane
CID 22648516
cis-9,10-Epoxynonadecene
CID 57481007
Dec-9-enyl glycidyl ether
CID 85768839

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane?
The IUPAC name of (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane (CID 146169551) is (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane?
The canonical SMILES for (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane is C=CCCCCC[C@H]1O[C@@H]1COC.
What is the InChIKey of (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane?
The InChIKey is OLUWIJWJKGBXGC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10-11(13-10)9-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane?
(2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hept-6-enyl-3-(methoxymethyl)oxirane is sourced from PubChem (CID 146169551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).