(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol

C7H14O3 — CID 10986376

IUPAC(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOC)[C@H](C)O
InChIInChI=1S/C7H14O3/c1-4-7(6(2)8)10-5-9-3/h4,6-8H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKeyJQWXONRMUOALJC-NKWVEPMBSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds5

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

(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol (PubChem CID 10986376) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol
PubChem CID10986376
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol
SMILESC=C[C@@H](OCOC)[C@H](C)O
InChIInChI=1S/C7H14O3/c1-4-7(6(2)8)10-5-9-3/h4,6-8H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKeyJQWXONRMUOALJC-NKWVEPMBSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol (CID 10986376) is (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol is C=C[C@@H](OCOC)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol?
The InChIKey is JQWXONRMUOALJC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(6(2)8)10-5-9-3/h4,6-8H,1,5H2,2-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol?
(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 10986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).