(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene

C18H34O — CID 10515929

IUPAC(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCOC(C)(C)C
InChIInChI=1S/C18H34O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4/h8-11H,5-7,12-17H2,1-4H3/b9-8+,11-10+
InChIKeyQPUJALVAZPRTKY-BNFZFUHLSA-N
MW266.47 g/mol
LogP6.05
Rot. Bonds11

About (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene

(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene (PubChem CID 10515929) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene
PubChem CID10515929
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCOC(C)(C)C
InChIInChI=1S/C18H34O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4/h8-11H,5-7,12-17H2,1-4H3/b9-8+,11-10+
InChIKeyQPUJALVAZPRTKY-BNFZFUHLSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z,6E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-4,6-diene
CID 10801743
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
(5E,7Z)-1-(nonoxymethoxy)dodeca-5,7-diene
CID 162392663
1-(nonoxymethoxy)dodeca-5,7-diene
CID 166757657
(Z)-2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 59344635
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-hexoxyocta-1,3-diene
CID 149151620
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene?
The IUPAC name of (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene (CID 10515929) is (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene.
What is the SMILES notation for (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene?
The canonical SMILES for (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene is CCCC/C=C/C=C/CCCCCCOC(C)(C)C.
What is the InChIKey of (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene?
The InChIKey is QPUJALVAZPRTKY-BNFZFUHLSA-N. The full InChI is InChI=1S/C18H34O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2,3)4/h8-11H,5-7,12-17H2,1-4H3/b9-8+,11-10+.
What are the key properties of (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene?
(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene has a molecular weight of 266.47 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene is sourced from PubChem (CID 10515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).