(E)-14,14-dimethoxytetradec-3-ene

C16H32O2 — CID 6450377

IUPAC(E)-14,14-dimethoxytetradec-3-ene
SMILESCC/C=C/CCCCCCCCCC(OC)OC
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h5-6,16H,4,7-15H2,1-3H3/b6-5+
InChIKeyZLMSFERROZEDJZ-AATRIKPKSA-N
MW256.43 g/mol
LogP5.08
Rot. Bonds13

About (E)-14,14-dimethoxytetradec-3-ene

(E)-14,14-dimethoxytetradec-3-ene (PubChem CID 6450377) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (E)-14,14-dimethoxytetradec-3-ene.

Molecular Properties

Compound Name(E)-14,14-dimethoxytetradec-3-ene
PubChem CID6450377
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(E)-14,14-dimethoxytetradec-3-ene
SMILESCC/C=C/CCCCCCCCCC(OC)OC
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h5-6,16H,4,7-15H2,1-3H3/b6-5+
InChIKeyZLMSFERROZEDJZ-AATRIKPKSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.08
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

9-Octadecene, 1,1-dimethoxy-, (Z)-
CID 5466600
10,10-Diethoxydec-1-ene
CID 86584457
3-Nonene, 9,9-dimethoxy-, (3Z)-
CID 6437572
3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
1-Undecene, 11,11-dimethoxy-
CID 103375
(Z)-11-Hexadecenyl formate
CID 56935995
3,5-Hexadecadiene, 16,16-diethoxy-, (3Z,5Z)-
CID 13194926
9-Octadecen-1-ol, 1-formate, (9Z)-
CID 20838721
Oleyl alcohol, methyl ether
CID 12550087
2H-Pyran, 2-[(7E)-7-dodecen-1-yloxy]tetrahydro-
CID 6437394
9-Octadecenyl formate
CID 53632023
1-Methoxyoctadec-9-ene
CID 551192

Frequently Asked Questions

What is the IUPAC name of (E)-14,14-dimethoxytetradec-3-ene?
The IUPAC name of (E)-14,14-dimethoxytetradec-3-ene (CID 6450377) is (E)-14,14-dimethoxytetradec-3-ene.
What is the SMILES notation for (E)-14,14-dimethoxytetradec-3-ene?
The canonical SMILES for (E)-14,14-dimethoxytetradec-3-ene is CC/C=C/CCCCCCCCCC(OC)OC.
What is the InChIKey of (E)-14,14-dimethoxytetradec-3-ene?
The InChIKey is ZLMSFERROZEDJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(17-2)18-3/h5-6,16H,4,7-15H2,1-3H3/b6-5+.
What are the key properties of (E)-14,14-dimethoxytetradec-3-ene?
(E)-14,14-dimethoxytetradec-3-ene has a molecular weight of 256.43 g/mol, XLogP of 5.08, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14,14-dimethoxytetradec-3-ene is sourced from PubChem (CID 6450377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).