(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one

C14H24O — CID 5363460

IUPAC(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
SMILESCC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+
InChIKeyHSRQHSFPIKREMB-SDCOAONHSA-N
MW208.34 g/mol
LogP4.44
Rot. Bonds7

About (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one

(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one (PubChem CID 5363460) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
PubChem CID5363460
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
SMILESCC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+
InChIKeyHSRQHSFPIKREMB-SDCOAONHSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(E)-7-methylnon-6-en-3-one
CID 22749805
(E)-5-methylhept-4-enoic acid
CID 83694352
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one (CID 5363460) is (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one is CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one?
The InChIKey is HSRQHSFPIKREMB-SDCOAONHSA-N. The full InChI is InChI=1S/C14H24O/c1-5-12(2)8-6-9-13(3)10-7-11-14(4)15/h8,10H,5-7,9,11H2,1-4H3/b12-8+,13-10+.
What are the key properties of (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one?
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one is sourced from PubChem (CID 5363460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).