2-methyl-5-methylideneundecane

C13H26 — CID 54320712

IUPAC2-methyl-5-methylideneundecane
SMILESC=C(CCCCCC)CCC(C)C
InChIInChI=1S/C13H26/c1-5-6-7-8-9-13(4)11-10-12(2)3/h12H,4-11H2,1-3H3
InChIKeyXKNXRFAYBACBMH-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About 2-methyl-5-methylideneundecane

2-methyl-5-methylideneundecane (PubChem CID 54320712) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-methyl-5-methylideneundecane.

Molecular Properties

Compound Name2-methyl-5-methylideneundecane
PubChem CID54320712
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-methyl-5-methylideneundecane
SMILESC=C(CCCCCC)CCC(C)C
InChIInChI=1S/C13H26/c1-5-6-7-8-9-13(4)11-10-12(2)3/h12H,4-11H2,1-3H3
InChIKeyXKNXRFAYBACBMH-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

6-methylidenedodecane
CID 21453027
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2,8-dimethyl-5-methylidenenonane
CID 545812
2-chloro-6-methylidenedodecane
CID 139337956
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
17-methylidenetricosan-9-amine
CID 129036120
5-methyl-9-methylidenetetradecane
CID 142037910
14-ethyl-11-methylideneoctacosane
CID 142291477
3,8-dimethylidenetetradecane
CID 173410299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylideneundecane?
The IUPAC name of 2-methyl-5-methylideneundecane (CID 54320712) is 2-methyl-5-methylideneundecane.
What is the SMILES notation for 2-methyl-5-methylideneundecane?
The canonical SMILES for 2-methyl-5-methylideneundecane is C=C(CCCCCC)CCC(C)C.
What is the InChIKey of 2-methyl-5-methylideneundecane?
The InChIKey is XKNXRFAYBACBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-7-8-9-13(4)11-10-12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-methyl-5-methylideneundecane?
2-methyl-5-methylideneundecane has a molecular weight of 182.35 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylideneundecane is sourced from PubChem (CID 54320712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).