(E)-1,1-diethoxyhexadec-7-ene

C20H40O2 — CID 6450382

IUPAC(E)-1,1-diethoxyhexadec-7-ene
SMILESCCCCCCCC/C=C/CCCCCC(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/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+
InChIKeyVOJBKJKGAHHPBF-BUHFOSPRSA-N
MW312.54 g/mol
LogP6.64
Rot. Bonds17

About (E)-1,1-diethoxyhexadec-7-ene

(E)-1,1-diethoxyhexadec-7-ene (PubChem CID 6450382) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (E)-1,1-diethoxyhexadec-7-ene.

Molecular Properties

Compound Name(E)-1,1-diethoxyhexadec-7-ene
PubChem CID6450382
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(E)-1,1-diethoxyhexadec-7-ene
SMILESCCCCCCCC/C=C/CCCCCC(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/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+
InChIKeyVOJBKJKGAHHPBF-BUHFOSPRSA-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

1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437125
9-Octadecene, 1,1-dimethoxy-, (Z)-
CID 5466600
10,10-Diethoxydec-1-ene
CID 86584457
3-Nonene, 9,9-dimethoxy-, (3Z)-
CID 6437572
4-Decene, 1,1-diethoxy-, (4Z)-
CID 6442059
2-((8E,10E)-8,10-Dodecadien-1-yloxy)tetrahydro-2H-pyran
CID 10978415
1-Undecene, 11,11-bis(3,7-dimethyl-2,6-octadienyl)oxy-
CID 105593
3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
1-Undecene, 11,11-dimethoxy-
CID 103375
3,5-Hexadecadiene, 16,16-diethoxy-, (3Z,5Z)-
CID 13194926
2H-Pyran, 2-[(7E)-7-dodecen-1-yloxy]tetrahydro-
CID 6437394
2H-Pyran, tetrahydro-2-[(9E)-9-tetradecen-1-yloxy]-
CID 6437003

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxyhexadec-7-ene?
The IUPAC name of (E)-1,1-diethoxyhexadec-7-ene (CID 6450382) is (E)-1,1-diethoxyhexadec-7-ene.
What is the SMILES notation for (E)-1,1-diethoxyhexadec-7-ene?
The canonical SMILES for (E)-1,1-diethoxyhexadec-7-ene is CCCCCCCC/C=C/CCCCCC(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxyhexadec-7-ene?
The InChIKey is VOJBKJKGAHHPBF-BUHFOSPRSA-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/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+.
What are the key properties of (E)-1,1-diethoxyhexadec-7-ene?
(E)-1,1-diethoxyhexadec-7-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 (E)-1,1-diethoxyhexadec-7-ene is sourced from PubChem (CID 6450382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).