(6E,10E)-11-methyltrideca-6,10-dien-3-one

C14H24O — CID 135383533

IUPAC(6E,10E)-11-methyltrideca-6,10-dien-3-one
SMILESCCC(=O)CC/C=C/CC/C=C(\C)CC
InChIInChI=1S/C14H24O/c1-4-13(3)11-9-7-6-8-10-12-14(15)5-2/h6,8,11H,4-5,7,9-10,12H2,1-3H3/b8-6+,13-11+
InChIKeyVWWRNZMFCAVLRJ-VAFZVJGJSA-N
MW208.34 g/mol
LogP4.44
Rot. Bonds8

About (6E,10E)-11-methyltrideca-6,10-dien-3-one

(6E,10E)-11-methyltrideca-6,10-dien-3-one (PubChem CID 135383533) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (6E,10E)-11-methyltrideca-6,10-dien-3-one.

Molecular Properties

Compound Name(6E,10E)-11-methyltrideca-6,10-dien-3-one
PubChem CID135383533
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(6E,10E)-11-methyltrideca-6,10-dien-3-one
SMILESCCC(=O)CC/C=C/CC/C=C(\C)CC
InChIInChI=1S/C14H24O/c1-4-13(3)11-9-7-6-8-10-12-14(15)5-2/h6,8,11H,4-5,7,9-10,12H2,1-3H3/b8-6+,13-11+
InChIKeyVWWRNZMFCAVLRJ-VAFZVJGJSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-7-methylnon-6-en-3-one
CID 22749805
3-methylundeca-3,7-diene
CID 57021497
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(E)-5-methylhept-4-enoic acid
CID 83694352
hexadec-6-en-3-one
CID 141403796
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
CID 139632164
2,10-dimethyldodeca-2,6,10-triene
CID 123930349

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-11-methyltrideca-6,10-dien-3-one?
The IUPAC name of (6E,10E)-11-methyltrideca-6,10-dien-3-one (CID 135383533) is (6E,10E)-11-methyltrideca-6,10-dien-3-one.
What is the SMILES notation for (6E,10E)-11-methyltrideca-6,10-dien-3-one?
The canonical SMILES for (6E,10E)-11-methyltrideca-6,10-dien-3-one is CCC(=O)CC/C=C/CC/C=C(\C)CC.
What is the InChIKey of (6E,10E)-11-methyltrideca-6,10-dien-3-one?
The InChIKey is VWWRNZMFCAVLRJ-VAFZVJGJSA-N. The full InChI is InChI=1S/C14H24O/c1-4-13(3)11-9-7-6-8-10-12-14(15)5-2/h6,8,11H,4-5,7,9-10,12H2,1-3H3/b8-6+,13-11+.
What are the key properties of (6E,10E)-11-methyltrideca-6,10-dien-3-one?
(6E,10E)-11-methyltrideca-6,10-dien-3-one has a molecular weight of 208.34 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-11-methyltrideca-6,10-dien-3-one is sourced from PubChem (CID 135383533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).