tetradeca-1,3-dien-7-one

C14H24O — CID 140791016

IUPACtetradeca-1,3-dien-7-one
SMILESC=CC=CCCC(=O)CCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h4,6,8H,2-3,5,7,9-13H2,1H3
InChIKeyQLAPFHSHNQUAQI-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.44
Rot. Bonds10

About tetradeca-1,3-dien-7-one

tetradeca-1,3-dien-7-one (PubChem CID 140791016) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is tetradeca-1,3-dien-7-one.

Molecular Properties

Compound Nametetradeca-1,3-dien-7-one
PubChem CID140791016
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nametetradeca-1,3-dien-7-one
SMILESC=CC=CCCC(=O)CCCCCCC
InChIInChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h4,6,8H,2-3,5,7,9-13H2,1H3
InChIKeyQLAPFHSHNQUAQI-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.44
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

(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
dodeca-1,3-dien-6-one
CID 154455058
(E)-nonadec-12-en-9-one
CID 15584258
tetradec-1-en-5-one
CID 11195184
tritriaconta-12,14-dien-5-one
CID 162922965
pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
undec-2-en-6-one;hydrochloride
CID 175086863
(E)-triacont-15-ene-8,23-dione
CID 11849500
ethene;tridecan-7-one
CID 159715360
deca-7,9-dien-3-one
CID 141369431

Frequently Asked Questions

What is the IUPAC name of tetradeca-1,3-dien-7-one?
The IUPAC name of tetradeca-1,3-dien-7-one (CID 140791016) is tetradeca-1,3-dien-7-one.
What is the SMILES notation for tetradeca-1,3-dien-7-one?
The canonical SMILES for tetradeca-1,3-dien-7-one is C=CC=CCCC(=O)CCCCCCC.
What is the InChIKey of tetradeca-1,3-dien-7-one?
The InChIKey is QLAPFHSHNQUAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h4,6,8H,2-3,5,7,9-13H2,1H3.
What are the key properties of tetradeca-1,3-dien-7-one?
tetradeca-1,3-dien-7-one has a molecular weight of 208.34 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,3-dien-7-one is sourced from PubChem (CID 140791016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).