10,10-diethoxydec-1-ene

C14H28O2 — CID 86584457

IUPAC10,10-diethoxydec-1-ene
SMILESC=CCCCCCCCC(OCC)OCC
InChIInChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h4,14H,1,5-13H2,2-3H3
InChIKeyRKCRPNMNQJZLMF-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.30
Rot. Bonds12

About 10,10-diethoxydec-1-ene

10,10-diethoxydec-1-ene (PubChem CID 86584457) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 10,10-diethoxydec-1-ene.

Molecular Properties

Compound Name10,10-diethoxydec-1-ene
PubChem CID86584457
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name10,10-diethoxydec-1-ene
SMILESC=CCCCCCCCC(OCC)OCC
InChIInChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h4,14H,1,5-13H2,2-3H3
InChIKeyRKCRPNMNQJZLMF-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 10,10-diethoxydec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,10-diethoxydec-1-ene?
The IUPAC name of 10,10-diethoxydec-1-ene (CID 86584457) is 10,10-diethoxydec-1-ene.
What is the SMILES notation for 10,10-diethoxydec-1-ene?
The canonical SMILES for 10,10-diethoxydec-1-ene is C=CCCCCCCCC(OCC)OCC.
What is the InChIKey of 10,10-diethoxydec-1-ene?
The InChIKey is RKCRPNMNQJZLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 10,10-diethoxydec-1-ene?
10,10-diethoxydec-1-ene has a molecular weight of 228.38 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethoxydec-1-ene is sourced from PubChem (CID 86584457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).