(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol

C15H30O4 — CID 11346374

IUPAC(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](CCCCCC)OCOCCOC
InChIInChI=1S/C15H30O4/c1-4-6-7-8-10-15(14(16)9-5-2)19-13-18-12-11-17-3/h5,14-16H,2,4,6-13H2,1,3H3/t14-,15-/m0/s1
InChIKeyLTEGUJSPTOORJV-GJZGRUSLSA-N
MW274.40 g/mol
LogP2.90
Rot. Bonds14

About (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol

(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol (PubChem CID 11346374) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
PubChem CID11346374
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](CCCCCC)OCOCCOC
InChIInChI=1S/C15H30O4/c1-4-6-7-8-10-15(14(16)9-5-2)19-13-18-12-11-17-3/h5,14-16H,2,4,6-13H2,1,3H3/t14-,15-/m0/s1
InChIKeyLTEGUJSPTOORJV-GJZGRUSLSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
8,9-Dihydroxynon-1-en-3-yl methyl carbonate
CID 14142039
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
1-(6-Allyl-3-methoxymethoxy-tetrahydro-pyran-2-yl)-propan-2-ol
CID 53305213
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol
CID 102266624
(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
CID 102478541
(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol
CID 134832287

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol?
The IUPAC name of (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol (CID 11346374) is (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol.
What is the SMILES notation for (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol?
The canonical SMILES for (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol is C=CC[C@H](O)[C@H](CCCCCC)OCOCCOC.
What is the InChIKey of (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol?
The InChIKey is LTEGUJSPTOORJV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H30O4/c1-4-6-7-8-10-15(14(16)9-5-2)19-13-18-12-11-17-3/h5,14-16H,2,4,6-13H2,1,3H3/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol?
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol has a molecular weight of 274.40 g/mol, XLogP of 2.90, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol is sourced from PubChem (CID 11346374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).