4-methyl-8-methylidenedodecane

C14H28 — CID 123605795

IUPAC4-methyl-8-methylidenedodecane
SMILESC=C(CCCC)CCCC(C)CCC
InChIInChI=1S/C14H28/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h13H,4-12H2,1-3H3
InChIKeyGQCYHHDIZRFTKW-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds9

About 4-methyl-8-methylidenedodecane

4-methyl-8-methylidenedodecane (PubChem CID 123605795) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-methyl-8-methylidenedodecane.

Molecular Properties

Compound Name4-methyl-8-methylidenedodecane
PubChem CID123605795
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-methyl-8-methylidenedodecane
SMILESC=C(CCCC)CCCC(C)CCC
InChIInChI=1S/C14H28/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h13H,4-12H2,1-3H3
InChIKeyGQCYHHDIZRFTKW-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-9-methylidenetetradecane
CID 142037910
9,10-dimethyl-5-methylidenepentadecane
CID 142544689
6-methyl-2-methylidenenonanoic acid
CID 54193613
3,5-dimethyl-8-methylidenedodecane
CID 123462776
4-methylheptane;pentane
CID 142501546
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
CID 142431893
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
2-chloro-6-methylidenedodecane
CID 139337956
4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
4,9-dimethylpentadecane
CID 123851930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-methylidenedodecane?
The IUPAC name of 4-methyl-8-methylidenedodecane (CID 123605795) is 4-methyl-8-methylidenedodecane.
What is the SMILES notation for 4-methyl-8-methylidenedodecane?
The canonical SMILES for 4-methyl-8-methylidenedodecane is C=C(CCCC)CCCC(C)CCC.
What is the InChIKey of 4-methyl-8-methylidenedodecane?
The InChIKey is GQCYHHDIZRFTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-10-14(4)12-8-11-13(3)9-6-2/h13H,4-12H2,1-3H3.
What are the key properties of 4-methyl-8-methylidenedodecane?
4-methyl-8-methylidenedodecane has a molecular weight of 196.38 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-methylidenedodecane is sourced from PubChem (CID 123605795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).