(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol

C7H14O3 — CID 11205834

IUPAC(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
SMILESCOCO[C@@H](C)/C=C/CO
InChIInChI=1S/C7H14O3/c1-7(4-3-5-8)10-6-9-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-/m0/s1
InChIKeyADBWZCUWIYRQJQ-SDLBARTOSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds5

About (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol

(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol (PubChem CID 11205834) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
PubChem CID11205834
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(E,4S)-4-(methoxymethoxy)pent-2-en-1-ol
SMILESCOCO[C@@H](C)/C=C/CO
InChIInChI=1S/C7H14O3/c1-7(4-3-5-8)10-6-9-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-/m0/s1
InChIKeyADBWZCUWIYRQJQ-SDLBARTOSA-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 (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol?
The IUPAC name of (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol (CID 11205834) is (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol?
The canonical SMILES for (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol is COCO[C@@H](C)/C=C/CO.
What is the InChIKey of (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol?
The InChIKey is ADBWZCUWIYRQJQ-SDLBARTOSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(4-3-5-8)10-6-9-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-/m0/s1.
What are the key properties of (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol?
(E,4S)-4-(methoxymethoxy)pent-2-en-1-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 (E,4S)-4-(methoxymethoxy)pent-2-en-1-ol is sourced from PubChem (CID 11205834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).