(Z)-16,16-diethoxyhexadec-5-ene

C20H40O2 — CID 6438017

IUPAC(Z)-16,16-diethoxyhexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCC(OCC)OCC
InChIInChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h9-10,20H,4-8,11-19H2,1-3H3/b10-9-
InChIKeyJAOYXKSQTHADHX-KTKRTIGZSA-N
MW312.54 g/mol
LogP6.64
Rot. Bonds17

About (Z)-16,16-diethoxyhexadec-5-ene

(Z)-16,16-diethoxyhexadec-5-ene (PubChem CID 6438017) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (Z)-16,16-diethoxyhexadec-5-ene.

Molecular Properties

Compound Name(Z)-16,16-diethoxyhexadec-5-ene
PubChem CID6438017
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(Z)-16,16-diethoxyhexadec-5-ene
SMILESCCCC/C=C\CCCCCCCCCC(OCC)OCC
InChIInChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h9-10,20H,4-8,11-19H2,1-3H3/b10-9-
InChIKeyJAOYXKSQTHADHX-KTKRTIGZSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.64
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-16,16-diethoxyhexadec-5-ene?
The IUPAC name of (Z)-16,16-diethoxyhexadec-5-ene (CID 6438017) is (Z)-16,16-diethoxyhexadec-5-ene.
What is the SMILES notation for (Z)-16,16-diethoxyhexadec-5-ene?
The canonical SMILES for (Z)-16,16-diethoxyhexadec-5-ene is CCCC/C=C\CCCCCCCCCC(OCC)OCC.
What is the InChIKey of (Z)-16,16-diethoxyhexadec-5-ene?
The InChIKey is JAOYXKSQTHADHX-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h9-10,20H,4-8,11-19H2,1-3H3/b10-9-.
What are the key properties of (Z)-16,16-diethoxyhexadec-5-ene?
(Z)-16,16-diethoxyhexadec-5-ene has a molecular weight of 312.54 g/mol, XLogP of 6.64, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16,16-diethoxyhexadec-5-ene is sourced from PubChem (CID 6438017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).