16,16-diethoxyhexadec-3-ene

C20H40O2 — CID 91492223

IUPAC16,16-diethoxyhexadec-3-ene
SMILESCCC=CCCCCCCCCCCCC(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/h7-8,20H,4-6,9-19H2,1-3H3
InChIKeyOYDCEDOBSFRLNC-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.64
Rot. Bonds17

About 16,16-diethoxyhexadec-3-ene

16,16-diethoxyhexadec-3-ene (PubChem CID 91492223) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 16,16-diethoxyhexadec-3-ene.

Molecular Properties

Compound Name16,16-diethoxyhexadec-3-ene
PubChem CID91492223
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name16,16-diethoxyhexadec-3-ene
SMILESCCC=CCCCCCCCCCCCC(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/h7-8,20H,4-6,9-19H2,1-3H3
InChIKeyOYDCEDOBSFRLNC-UHFFFAOYSA-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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Related Compounds

(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
9-bromo-1,1-bis[(Z)-oct-5-enoxy]nonane
CID 164551897
12,12-diethoxydodec-1-ene
CID 146004846
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951
1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
CID 162350652
2-[(Z)-1-ethoxyoctadec-9-enoxy]acetic acid
CID 175306189
(3E,16E)-nonadeca-3,16-diene
CID 157471321
10-methylundec-3-ene
CID 544769

Frequently Asked Questions

What is the IUPAC name of 16,16-diethoxyhexadec-3-ene?
The IUPAC name of 16,16-diethoxyhexadec-3-ene (CID 91492223) is 16,16-diethoxyhexadec-3-ene.
What is the SMILES notation for 16,16-diethoxyhexadec-3-ene?
The canonical SMILES for 16,16-diethoxyhexadec-3-ene is CCC=CCCCCCCCCCCCC(OCC)OCC.
What is the InChIKey of 16,16-diethoxyhexadec-3-ene?
The InChIKey is OYDCEDOBSFRLNC-UHFFFAOYSA-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/h7-8,20H,4-6,9-19H2,1-3H3.
What are the key properties of 16,16-diethoxyhexadec-3-ene?
16,16-diethoxyhexadec-3-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 16,16-diethoxyhexadec-3-ene is sourced from PubChem (CID 91492223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).