(2R,3S)-3-methoxypent-4-en-2-ol

C6H12O2 — CID 12755461

IUPAC(2R,3S)-3-methoxypent-4-en-2-ol
SMILESC=C[C@H](OC)[C@@H](C)O
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h4-7H,1H2,2-3H3/t5-,6+/m1/s1
InChIKeyYCYFZOSTZICWQH-RITPCOANSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds3

About (2R,3S)-3-methoxypent-4-en-2-ol

(2R,3S)-3-methoxypent-4-en-2-ol (PubChem CID 12755461) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,3S)-3-methoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methoxypent-4-en-2-ol
PubChem CID12755461
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,3S)-3-methoxypent-4-en-2-ol
SMILESC=C[C@H](OC)[C@@H](C)O
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h4-7H,1H2,2-3H3/t5-,6+/m1/s1
InChIKeyYCYFZOSTZICWQH-RITPCOANSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791
(E,2S,3R)-3-methoxyhex-4-en-2-ol
CID 134939548
3-methoxypent-4-en-2-amine
CID 90962870
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
4-hydroxypent-1-en-3-yl acetate
CID 130149697
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
3-methoxy-4-(methoxymethyl)hex-5-en-2-ol
CID 123992627
(2R,3R)-3-(ethoxymethoxy)pent-4-en-2-ol
CID 50922919
(2S,3R,4R,5S)-5-hydroxy-2,3,4-trimethoxyhexanal
CID 22875615
(3S,4S,5R)-8-bromo-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 123522891
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
(2S,3R)-3-aminopent-4-en-2-ol
CID 131375579

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methoxypent-4-en-2-ol?
The IUPAC name of (2R,3S)-3-methoxypent-4-en-2-ol (CID 12755461) is (2R,3S)-3-methoxypent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-3-methoxypent-4-en-2-ol?
The canonical SMILES for (2R,3S)-3-methoxypent-4-en-2-ol is C=C[C@H](OC)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-methoxypent-4-en-2-ol?
The InChIKey is YCYFZOSTZICWQH-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h4-7H,1H2,2-3H3/t5-,6+/m1/s1.
What are the key properties of (2R,3S)-3-methoxypent-4-en-2-ol?
(2R,3S)-3-methoxypent-4-en-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methoxypent-4-en-2-ol is sourced from PubChem (CID 12755461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).