(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol

C20H40O3 — CID 10936362

IUPAC(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol
SMILESCCCCCCCCCCCCCC/C=C/[C@@H](CO)OCOC
InChIInChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)23-19-22-2/h16-17,20-21H,3-15,18-19H2,1-2H3/b17-16+/t20-/m0/s1
InChIKeyOVCIJUMTZZRBMZ-NIQRWSHPSA-N
MW328.54 g/mol
LogP5.62
Rot. Bonds18

About (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol

(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol (PubChem CID 10936362) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol.

Molecular Properties

Compound Name(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol
PubChem CID10936362
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol
SMILESCCCCCCCCCCCCCC/C=C/[C@@H](CO)OCOC
InChIInChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)23-19-22-2/h16-17,20-21H,3-15,18-19H2,1-2H3/b17-16+/t20-/m0/s1
InChIKeyOVCIJUMTZZRBMZ-NIQRWSHPSA-N
XLogP5.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
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'}

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Related Compounds

(E,4R,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 10445037
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(E,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
(E,2R)-2-(methoxymethoxy)octadec-3-en-1-ol
CID 11221163
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
CID 11381001
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
CID 24746021
(E,4S,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 134992610
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
1-(2,2-Dimethyl-5-[(1Z)-1-undecenyl]-1,3-dioxolan-4-yl)-1,2-ethanediol
CID 5365393
[(4S,5S)-5-[(1Z,4Z)-deca-1,4-dienyl]-1,3-dioxolan-4-yl]methanol
CID 10776444

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol?
The IUPAC name of (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol (CID 10936362) is (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol.
What is the SMILES notation for (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol?
The canonical SMILES for (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol is CCCCCCCCCCCCCC/C=C/[C@@H](CO)OCOC.
What is the InChIKey of (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol?
The InChIKey is OVCIJUMTZZRBMZ-NIQRWSHPSA-N. The full InChI is InChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)23-19-22-2/h16-17,20-21H,3-15,18-19H2,1-2H3/b17-16+/t20-/m0/s1.
What are the key properties of (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol?
(E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol has a molecular weight of 328.54 g/mol, XLogP of 5.62, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-(methoxymethoxy)octadec-3-en-1-ol is sourced from PubChem (CID 10936362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).