(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one

C16H29NO — CID 15416354

IUPAC(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one
SMILESC/C=C/CCCC(=O)C(CCC/C=C/C)N(C)C
InChIInChI=1S/C16H29NO/c1-5-7-9-11-13-15(17(3)4)16(18)14-12-10-8-6-2/h5-8,15H,9-14H2,1-4H3/b7-5+,8-6+
InChIKeyNYGPNSFOZRVYGX-KQQUZDAGSA-N
MW251.41 g/mol
LogP3.98
Rot. Bonds10

About (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one

(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one (PubChem CID 15416354) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one.

Molecular Properties

Compound Name(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one
PubChem CID15416354
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one
SMILESC/C=C/CCCC(=O)C(CCC/C=C/C)N(C)C
InChIInChI=1S/C16H29NO/c1-5-7-9-11-13-15(17(3)4)16(18)14-12-10-8-6-2/h5-8,15H,9-14H2,1-4H3/b7-5+,8-6+
InChIKeyNYGPNSFOZRVYGX-KQQUZDAGSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methylnon-7-en-3-one
CID 88707157
(E)-hept-5-enamide
CID 18415105
sodium;hept-5-enoic acid;hydride
CID 174384913
non-7-en-3-one
CID 56994302
2-methyl-3-oxodec-8-enamide
CID 172994116
(E)-7,7-difluorohept-2-ene
CID 58814949
(E)-2-methylnon-7-enoic acid
CID 146276957
calcium 2-[(E)-hex-4-enyl]butanedioate
CID 102118568
2-methylnon-7-enamide
CID 142782091
1-hydroxyethyl (Z)-hept-5-enoate
CID 142426639
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
4-ethylidenedeca-2,8-diene
CID 91588113

Frequently Asked Questions

What is the IUPAC name of (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one?
The IUPAC name of (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one (CID 15416354) is (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one.
What is the SMILES notation for (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one?
The canonical SMILES for (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one is C/C=C/CCCC(=O)C(CCC/C=C/C)N(C)C.
What is the InChIKey of (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one?
The InChIKey is NYGPNSFOZRVYGX-KQQUZDAGSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-7-9-11-13-15(17(3)4)16(18)14-12-10-8-6-2/h5-8,15H,9-14H2,1-4H3/b7-5+,8-6+.
What are the key properties of (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one?
(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one has a molecular weight of 251.41 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one is sourced from PubChem (CID 15416354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).