(Z)-1,1-diethoxytridec-2-ene

C17H34O2 — CID 6436386

IUPAC(Z)-1,1-diethoxytridec-2-ene
SMILESCCCCCCCCCC/C=C\C(OCC)OCC
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h15-17H,4-14H2,1-3H3/b16-15-
InChIKeyDYLMMQAVDJNRKJ-NXVVXOECSA-N
MW270.46 g/mol
LogP5.47
Rot. Bonds14

About (Z)-1,1-diethoxytridec-2-ene

(Z)-1,1-diethoxytridec-2-ene (PubChem CID 6436386) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (Z)-1,1-diethoxytridec-2-ene.

Molecular Properties

Compound Name(Z)-1,1-diethoxytridec-2-ene
PubChem CID6436386
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(Z)-1,1-diethoxytridec-2-ene
SMILESCCCCCCCCCC/C=C\C(OCC)OCC
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h15-17H,4-14H2,1-3H3/b16-15-
InChIKeyDYLMMQAVDJNRKJ-NXVVXOECSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.47
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 (Z)-1,1-diethoxytridec-2-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 (Z)-1,1-diethoxytridec-2-ene?
The IUPAC name of (Z)-1,1-diethoxytridec-2-ene (CID 6436386) is (Z)-1,1-diethoxytridec-2-ene.
What is the SMILES notation for (Z)-1,1-diethoxytridec-2-ene?
The canonical SMILES for (Z)-1,1-diethoxytridec-2-ene is CCCCCCCCCC/C=C\C(OCC)OCC.
What is the InChIKey of (Z)-1,1-diethoxytridec-2-ene?
The InChIKey is DYLMMQAVDJNRKJ-NXVVXOECSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17(18-5-2)19-6-3/h15-17H,4-14H2,1-3H3/b16-15-.
What are the key properties of (Z)-1,1-diethoxytridec-2-ene?
(Z)-1,1-diethoxytridec-2-ene has a molecular weight of 270.46 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1-diethoxytridec-2-ene is sourced from PubChem (CID 6436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).