(E)-9-methoxytetradec-7-en-6-one

C15H28O2 — CID 16724284

IUPAC(E)-9-methoxytetradec-7-en-6-one
SMILESCCCCCC(=O)/C=C/C(CCCCC)OC
InChIInChI=1S/C15H28O2/c1-4-6-8-10-14(16)12-13-15(17-3)11-9-7-5-2/h12-13,15H,4-11H2,1-3H3/b13-12+
InChIKeyQRLRSHUWQPIVMA-OUKQBFOZSA-N
MW240.39 g/mol
LogP4.29
Rot. Bonds11

About (E)-9-methoxytetradec-7-en-6-one

(E)-9-methoxytetradec-7-en-6-one (PubChem CID 16724284) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-9-methoxytetradec-7-en-6-one.

Molecular Properties

Compound Name(E)-9-methoxytetradec-7-en-6-one
PubChem CID16724284
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-9-methoxytetradec-7-en-6-one
SMILESCCCCCC(=O)/C=C/C(CCCCC)OC
InChIInChI=1S/C15H28O2/c1-4-6-8-10-14(16)12-13-15(17-3)11-9-7-5-2/h12-13,15H,4-11H2,1-3H3/b13-12+
InChIKeyQRLRSHUWQPIVMA-OUKQBFOZSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 9882599
Patulolide A
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Patulolide B
CID 6444101
14-Pentyl-1-oxacyclotetradec-12-ene-2,11-dione
CID 69971989
(12Z)-14-pentyl-1-oxacyclotetradec-12-ene-2,11-dione
CID 101244096
(4-Oxocyclohept-2-en-1-yl) acetate
CID 14379679
(3Z)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 11127536
(3E)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
CID 11769751
1-Acetyl-3-ethoxy-1-cyclohexene
CID 15143066
(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
CID 15500701
(4S)-4-[(E)-but-2-enoxy]cyclohex-2-en-1-one
CID 71578466
trans-5-Acetoxy-3-decen-2-one
CID 129808410

Frequently Asked Questions

What is the IUPAC name of (E)-9-methoxytetradec-7-en-6-one?
The IUPAC name of (E)-9-methoxytetradec-7-en-6-one (CID 16724284) is (E)-9-methoxytetradec-7-en-6-one.
What is the SMILES notation for (E)-9-methoxytetradec-7-en-6-one?
The canonical SMILES for (E)-9-methoxytetradec-7-en-6-one is CCCCCC(=O)/C=C/C(CCCCC)OC.
What is the InChIKey of (E)-9-methoxytetradec-7-en-6-one?
The InChIKey is QRLRSHUWQPIVMA-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-8-10-14(16)12-13-15(17-3)11-9-7-5-2/h12-13,15H,4-11H2,1-3H3/b13-12+.
What are the key properties of (E)-9-methoxytetradec-7-en-6-one?
(E)-9-methoxytetradec-7-en-6-one has a molecular weight of 240.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methoxytetradec-7-en-6-one is sourced from PubChem (CID 16724284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).