(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one

C14H24O — CID 5318635

IUPAC(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one
SMILESC=C(CC/C(C)=C/CCC(C)=O)C(C)C
InChIInChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
InChIKeyGVHYGHSXSIDTDI-KPKJPENVSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds7

About (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one

(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one (PubChem CID 5318635) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one.

Molecular Properties

Compound Name(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one
PubChem CID5318635
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one
SMILESC=C(CC/C(C)=C/CCC(C)=O)C(C)C
InChIInChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
InChIKeyGVHYGHSXSIDTDI-KPKJPENVSA-N
XLogP4.29
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 ≤ 54.29
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

Geranylacetone
CID 1549778
(+-)-Piperitone
CID 6987
Beta-Isophorone
CID 10108
Piperitone, L-
CID 107561
Tetrahydro-pseudo-ionone
CID 102604
Nerylacetone
CID 1713001
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
Nerone
CID 35785
(+)-Piperitone
CID 61362
4-Acetyl-1-methylcyclohexene
CID 93019
5-Isopropyl-8-methylnona-6,8-dien-2-one, (R-(E))-
CID 16058296
2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one
CID 521267

Frequently Asked Questions

What is the IUPAC name of (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one?
The IUPAC name of (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one (CID 5318635) is (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one.
What is the SMILES notation for (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one?
The canonical SMILES for (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one is C=C(CC/C(C)=C/CCC(C)=O)C(C)C.
What is the InChIKey of (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one?
The InChIKey is GVHYGHSXSIDTDI-KPKJPENVSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+.
What are the key properties of (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one?
(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one is sourced from PubChem (CID 5318635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).