(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol

C23H46O3 — CID 91608412

IUPAC(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
SMILESCCCCCCCCCCCCC=CCCCCCOC[C@@H](O)COC
InChIInChI=1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(24)21-25-2/h14-15,23-24H,3-13,16-22H2,1-2H3/t23-/m0/s1
InChIKeyASEXVFJRTXFDRW-QHCPKHFHSA-N
MW370.62 g/mol
LogP6.44
Rot. Bonds21

About (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol

(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol (PubChem CID 91608412) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
PubChem CID91608412
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
SMILESCCCCCCCCCCCCC=CCCCCCOC[C@@H](O)COC
InChIInChI=1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(24)21-25-2/h14-15,23-24H,3-13,16-22H2,1-2H3/t23-/m0/s1
InChIKeyASEXVFJRTXFDRW-QHCPKHFHSA-N
XLogP6.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-octadec-11-enoxy]propane-1,2-diol
CID 50987897
(2S)-3-[(Z)-icos-9-enoxy]propane-1,2-diol
CID 101143228
3-[(E)-hexadec-7-enoxy]propane-1,2-diol
CID 10470922
1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
CID 89311398
[(2S)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] acetate
CID 100993554
(2R)-1-octadeca-9,12-dienoxyundecan-2-ol
CID 123987134
1-dihydroxyphosphinothioyloxy-3-octadec-9-enoxypropan-2-ol
CID 72986618
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2S)-1-methoxy-3-[(6Z,12Z)-octadeca-6,12-dienoxy]propan-2-ol;trimethyl(2-phosphonopropyl)azanium
CID 87063124
(2S)-1-methoxy-3-[(6Z,18Z)-tetracosa-6,18-dienoxy]propan-2-ol;trimethyl(2-phosphonopropyl)azanium
CID 87063096
3-[(E)-dec-5-enoxy]propane-1,2-diol
CID 101275410
1-decoxy-3-[(Z)-4-(3-decoxy-2-hydroxypropoxy)but-2-enoxy]propan-2-ol
CID 101028718

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol?
The IUPAC name of (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol (CID 91608412) is (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol.
What is the SMILES notation for (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol?
The canonical SMILES for (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol is CCCCCCCCCCCCC=CCCCCCOC[C@@H](O)COC.
What is the InChIKey of (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol?
The InChIKey is ASEXVFJRTXFDRW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(24)21-25-2/h14-15,23-24H,3-13,16-22H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol?
(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol has a molecular weight of 370.62 g/mol, XLogP of 6.44, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol is sourced from PubChem (CID 91608412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).