2-chloro-6-methylidenedodecane

C13H25Cl — CID 139337956

IUPAC2-chloro-6-methylidenedodecane
SMILESC=C(CCCCCC)CCCC(C)Cl
InChIInChI=1S/C13H25Cl/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h13H,2,4-11H2,1,3H3
InChIKeyVRGIJPVRQBFCCL-UHFFFAOYSA-N
MW216.80 g/mol
LogP5.31
Rot. Bonds9

About 2-chloro-6-methylidenedodecane

2-chloro-6-methylidenedodecane (PubChem CID 139337956) has the molecular formula C13H25Cl and a molecular weight of 216.80 g/mol. Its IUPAC name is 2-chloro-6-methylidenedodecane.

Molecular Properties

Compound Name2-chloro-6-methylidenedodecane
PubChem CID139337956
Molecular FormulaC13H25Cl
Molecular Weight216.80 g/mol
Exact Mass216.16
IUPAC Name2-chloro-6-methylidenedodecane
SMILESC=C(CCCCCC)CCCC(C)Cl
InChIInChI=1S/C13H25Cl/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h13H,2,4-11H2,1,3H3
InChIKeyVRGIJPVRQBFCCL-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.80
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
2-methyl-5-methylideneundecane
CID 54320712
5-methyl-9-methylidenetetradecane
CID 142037910
19-methylideneheptatriacontane;titanium
CID 174477367
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
azane;2-chloropentadecane
CID 88746937
9,10-dimethyl-5-methylidenepentadecane
CID 142544689
17-methylidenetricosan-9-amine
CID 129036120
3,8-dimethylidenetetradecane
CID 173410299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylidenedodecane?
The IUPAC name of 2-chloro-6-methylidenedodecane (CID 139337956) is 2-chloro-6-methylidenedodecane.
What is the SMILES notation for 2-chloro-6-methylidenedodecane?
The canonical SMILES for 2-chloro-6-methylidenedodecane is C=C(CCCCCC)CCCC(C)Cl.
What is the InChIKey of 2-chloro-6-methylidenedodecane?
The InChIKey is VRGIJPVRQBFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25Cl/c1-4-5-6-7-9-12(2)10-8-11-13(3)14/h13H,2,4-11H2,1,3H3.
What are the key properties of 2-chloro-6-methylidenedodecane?
2-chloro-6-methylidenedodecane has a molecular weight of 216.80 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylidenedodecane is sourced from PubChem (CID 139337956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).