(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane

C13H24O3 — CID 24862522

IUPAC(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
SMILESC=C[C@H](CCCCCC[C@H]1CO1)OCOC
InChIInChI=1S/C13H24O3/c1-3-12(16-11-14-2)8-6-4-5-7-9-13-10-15-13/h3,12-13H,1,4-11H2,2H3/t12-,13+/m1/s1
InChIKeyNCHJWPDBOZCUSZ-OLZOCXBDSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds11

About (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane

(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane (PubChem CID 24862522) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
PubChem CID24862522
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
SMILESC=C[C@H](CCCCCC[C@H]1CO1)OCOC
InChIInChI=1S/C13H24O3/c1-3-12(16-11-14-2)8-6-4-5-7-9-13-10-15-13/h3,12-13H,1,4-11H2,2H3/t12-,13+/m1/s1
InChIKeyNCHJWPDBOZCUSZ-OLZOCXBDSA-N
XLogP2.90
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
CID 24862521
(8S)-8-(methoxymethoxy)dec-9-en-1-ol
CID 24862520
2-(6,6-dimethoxyhexyl)oxirane
CID 22101928
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
CID 134857158
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
2-methyl-8-(oxiran-2-yl)octanal
CID 101153303
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
(2S,5S)-5-(methoxymethoxy)-1-[(2S)-oxiran-2-yl]nonadecan-2-ol
CID 71567433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane?
The IUPAC name of (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane (CID 24862522) is (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane.
What is the SMILES notation for (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane?
The canonical SMILES for (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane is C=C[C@H](CCCCCC[C@H]1CO1)OCOC.
What is the InChIKey of (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane?
The InChIKey is NCHJWPDBOZCUSZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-12(16-11-14-2)8-6-4-5-7-9-13-10-15-13/h3,12-13H,1,4-11H2,2H3/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane?
(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane is sourced from PubChem (CID 24862522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).