(2S,3S)-3-methoxypent-4-ene-1,2-diol

C6H12O3 — CID 14889025

IUPAC(2S,3S)-3-methoxypent-4-ene-1,2-diol
SMILESC=C[C@H](OC)[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-3-6(9-2)5(8)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyNEGRAWFXJRVYNV-WDSKDSINSA-N
MW132.16 g/mol
LogP-0.46
Rot. Bonds4

About (2S,3S)-3-methoxypent-4-ene-1,2-diol

(2S,3S)-3-methoxypent-4-ene-1,2-diol (PubChem CID 14889025) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S,3S)-3-methoxypent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-methoxypent-4-ene-1,2-diol
PubChem CID14889025
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S,3S)-3-methoxypent-4-ene-1,2-diol
SMILESC=C[C@H](OC)[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-3-6(9-2)5(8)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyNEGRAWFXJRVYNV-WDSKDSINSA-N
XLogP-0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
methyl (E,4R,5R)-5,6-dihydroxy-4-methoxyhex-2-enoate
CID 135024558
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
3,5,6-trihydroxy-2,4-dimethoxyhexanal
CID 14259031
(2R,3R,4R,5R)-4-fluoro-3,5,6-trihydroxy-2-methoxyhexanal
CID 87895120
(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
CID 88980133
(3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
CID 173475976
(2R,3S,4E,6R)-3,6-bis(methoxymethoxy)nona-4,8-diene-1,2-diol
CID 25260374
3-prop-2-enoxybutane-1,2-diol
CID 14859753
(2R,3R,4R,5R)-4-methoxyhexane-1,2,3,5,6-pentol
CID 22214433
(2S,3S,4R)-5,5-dimethoxypentane-1,2,3,4-tetrol
CID 148549371

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxypent-4-ene-1,2-diol?
The IUPAC name of (2S,3S)-3-methoxypent-4-ene-1,2-diol (CID 14889025) is (2S,3S)-3-methoxypent-4-ene-1,2-diol.
What is the SMILES notation for (2S,3S)-3-methoxypent-4-ene-1,2-diol?
The canonical SMILES for (2S,3S)-3-methoxypent-4-ene-1,2-diol is C=C[C@H](OC)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-3-methoxypent-4-ene-1,2-diol?
The InChIKey is NEGRAWFXJRVYNV-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-6(9-2)5(8)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-methoxypent-4-ene-1,2-diol?
(2S,3S)-3-methoxypent-4-ene-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxypent-4-ene-1,2-diol is sourced from PubChem (CID 14889025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).