(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol

C12H24O3 — CID 24746021

IUPAC(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
SMILESCCCCCC/C=C/[C@@H](O)COCOC
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-/m1/s1
InChIKeyDSDDDOOHYGJBCD-IDVQTMNDSA-N
MW216.32 g/mol
LogP2.49
Rot. Bonds10

About (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol

(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol (PubChem CID 24746021) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
PubChem CID24746021
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
SMILESCCCCCC/C=C/[C@@H](O)COCOC
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-/m1/s1
InChIKeyDSDDDOOHYGJBCD-IDVQTMNDSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,2R)-1-(methoxymethoxy)dec-3-en-2-ol?
The IUPAC name of (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol (CID 24746021) is (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol.
What is the SMILES notation for (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol?
The canonical SMILES for (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol is CCCCCC/C=C/[C@@H](O)COCOC.
What is the InChIKey of (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol?
The InChIKey is DSDDDOOHYGJBCD-IDVQTMNDSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8+/t12-/m1/s1.
What are the key properties of (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol?
(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol has a molecular weight of 216.32 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-(methoxymethoxy)dec-3-en-2-ol is sourced from PubChem (CID 24746021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).