(2R)-1-methoxypent-4-en-2-ol

C6H12O2 — CID 58405982

IUPAC(2R)-1-methoxypent-4-en-2-ol
SMILESC=CC[C@@H](O)COC
InChIInChI=1S/C6H12O2/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyNMRJYJQELSXUPR-ZCFIWIBFSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds4

About (2R)-1-methoxypent-4-en-2-ol

(2R)-1-methoxypent-4-en-2-ol (PubChem CID 58405982) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R)-1-methoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxypent-4-en-2-ol
PubChem CID58405982
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R)-1-methoxypent-4-en-2-ol
SMILESC=CC[C@@H](O)COC
InChIInChI=1S/C6H12O2/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyNMRJYJQELSXUPR-ZCFIWIBFSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxypent-4-en-2-ol?
The IUPAC name of (2R)-1-methoxypent-4-en-2-ol (CID 58405982) is (2R)-1-methoxypent-4-en-2-ol.
What is the SMILES notation for (2R)-1-methoxypent-4-en-2-ol?
The canonical SMILES for (2R)-1-methoxypent-4-en-2-ol is C=CC[C@@H](O)COC.
What is the InChIKey of (2R)-1-methoxypent-4-en-2-ol?
The InChIKey is NMRJYJQELSXUPR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1.
What are the key properties of (2R)-1-methoxypent-4-en-2-ol?
(2R)-1-methoxypent-4-en-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxypent-4-en-2-ol is sourced from PubChem (CID 58405982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).