(E)-3-(1,1-dimethoxyethoxy)dec-4-ene

C14H28O3 — CID 135039604

IUPAC(E)-3-(1,1-dimethoxyethoxy)dec-4-ene
SMILESCCCCC/C=C/C(CC)OC(C)(OC)OC
InChIInChI=1S/C14H28O3/c1-6-8-9-10-11-12-13(7-2)17-14(3,15-4)16-5/h11-13H,6-10H2,1-5H3/b12-11+
InChIKeyJZQKCILSWAGPGE-VAWYXSNFSA-N
MW244.38 g/mol
LogP3.88
Rot. Bonds10

About (E)-3-(1,1-dimethoxyethoxy)dec-4-ene

(E)-3-(1,1-dimethoxyethoxy)dec-4-ene (PubChem CID 135039604) has the molecular formula C14H28O3 and a molecular weight of 244.38 g/mol. Its IUPAC name is (E)-3-(1,1-dimethoxyethoxy)dec-4-ene.

Molecular Properties

Compound Name(E)-3-(1,1-dimethoxyethoxy)dec-4-ene
PubChem CID135039604
Molecular FormulaC14H28O3
Molecular Weight244.38 g/mol
Exact Mass244.20
IUPAC Name(E)-3-(1,1-dimethoxyethoxy)dec-4-ene
SMILESCCCCC/C=C/C(CC)OC(C)(OC)OC
InChIInChI=1S/C14H28O3/c1-6-8-9-10-11-12-13(7-2)17-14(3,15-4)16-5/h11-13H,6-10H2,1-5H3/b12-11+
InChIKeyJZQKCILSWAGPGE-VAWYXSNFSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
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)-3-(1,1-dimethoxyethoxy)dec-4-ene?
The IUPAC name of (E)-3-(1,1-dimethoxyethoxy)dec-4-ene (CID 135039604) is (E)-3-(1,1-dimethoxyethoxy)dec-4-ene.
What is the SMILES notation for (E)-3-(1,1-dimethoxyethoxy)dec-4-ene?
The canonical SMILES for (E)-3-(1,1-dimethoxyethoxy)dec-4-ene is CCCCC/C=C/C(CC)OC(C)(OC)OC.
What is the InChIKey of (E)-3-(1,1-dimethoxyethoxy)dec-4-ene?
The InChIKey is JZQKCILSWAGPGE-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-8-9-10-11-12-13(7-2)17-14(3,15-4)16-5/h11-13H,6-10H2,1-5H3/b12-11+.
What are the key properties of (E)-3-(1,1-dimethoxyethoxy)dec-4-ene?
(E)-3-(1,1-dimethoxyethoxy)dec-4-ene has a molecular weight of 244.38 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,1-dimethoxyethoxy)dec-4-ene is sourced from PubChem (CID 135039604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).