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

C6H12O2 — CID 12755459

IUPAC(2R,3R)-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-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds3

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

(2R,3R)-3-methoxypent-4-en-2-ol (PubChem CID 12755459) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,3R)-3-methoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-methoxypent-4-en-2-ol
PubChem CID12755459
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,3R)-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-PHDIDXHHSA-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'}

Analyze (2R,3R)-3-methoxypent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propylene glycol, allyl ether
CID 14903
2-Methoxy-3-buten-1-OL
CID 2735078
2-[(But-3-en-2-yl)oxy]ethan-1-ol
CID 14693003
3-Ethen yl-2-oxiranemethanol
CID 14282994
InChI=1/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s
CID 5324178
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
(2R)-2-methyl-2-prop-2-enoxybut-3-en-1-ol
CID 10942539
[(2R,3R)-3-ethenyloxiran-2-yl]methanol
CID 11480405
3-Buten-2-ol, 1-(2-propenyloxy)-
CID 11715179
Pent-4-ene-2,3-diol
CID 14660056
1-Prop-2-enoxybutan-2-ol
CID 14833240
(2R)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924164

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxypent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-methoxypent-4-en-2-ol (CID 12755459) is (2R,3R)-3-methoxypent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-methoxypent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-methoxypent-4-en-2-ol is C=C[C@@H](OC)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-methoxypent-4-en-2-ol?
The InChIKey is YCYFZOSTZICWQH-PHDIDXHHSA-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,3R)-3-methoxypent-4-en-2-ol?
(2R,3R)-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,3R)-3-methoxypent-4-en-2-ol is sourced from PubChem (CID 12755459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).