3-methylidene-6-propyldodecane

C16H32 — CID 155645472

IUPAC3-methylidene-6-propyldodecane
SMILESC=C(CC)CCC(CCC)CCCCCC
InChIInChI=1S/C16H32/c1-5-8-9-10-12-16(11-6-2)14-13-15(4)7-3/h16H,4-14H2,1-3H3
InChIKeyJRVKDYWDJCMVAN-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.12
Rot. Bonds11

About 3-methylidene-6-propyldodecane

3-methylidene-6-propyldodecane (PubChem CID 155645472) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 3-methylidene-6-propyldodecane.

Molecular Properties

Compound Name3-methylidene-6-propyldodecane
PubChem CID155645472
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name3-methylidene-6-propyldodecane
SMILESC=C(CC)CCC(CCC)CCCCCC
InChIInChI=1S/C16H32/c1-5-8-9-10-12-16(11-6-2)14-13-15(4)7-3/h16H,4-14H2,1-3H3
InChIKeyJRVKDYWDJCMVAN-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.12
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

5-decylpentadec-1-en-2-ol
CID 177206420
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
5-dodecyl-N,N-dimethyl-9,15-dimethylidene-12-propylpentacosan-1-amine
CID 166716171
14-ethyl-11-methylideneoctacosane
CID 142291477
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
5-propylpentacosane
CID 91493421

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-propyldodecane?
The IUPAC name of 3-methylidene-6-propyldodecane (CID 155645472) is 3-methylidene-6-propyldodecane.
What is the SMILES notation for 3-methylidene-6-propyldodecane?
The canonical SMILES for 3-methylidene-6-propyldodecane is C=C(CC)CCC(CCC)CCCCCC.
What is the InChIKey of 3-methylidene-6-propyldodecane?
The InChIKey is JRVKDYWDJCMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-8-9-10-12-16(11-6-2)14-13-15(4)7-3/h16H,4-14H2,1-3H3.
What are the key properties of 3-methylidene-6-propyldodecane?
3-methylidene-6-propyldodecane has a molecular weight of 224.43 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-propyldodecane is sourced from PubChem (CID 155645472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).