3-methyl-5-methylidenedec-2-ene

C12H22 — CID 172548284

IUPAC3-methyl-5-methylidenedec-2-ene
SMILESC=C(CCCCC)CC(C)=CC
InChIInChI=1S/C12H22/c1-5-7-8-9-12(4)10-11(3)6-2/h6H,4-5,7-10H2,1-3H3
InChIKeyIUGCASLHWGEQRM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds6

About 3-methyl-5-methylidenedec-2-ene

3-methyl-5-methylidenedec-2-ene (PubChem CID 172548284) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-methyl-5-methylidenedec-2-ene.

Molecular Properties

Compound Name3-methyl-5-methylidenedec-2-ene
PubChem CID172548284
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-methyl-5-methylidenedec-2-ene
SMILESC=C(CCCCC)CC(C)=CC
InChIInChI=1S/C12H22/c1-5-7-8-9-12(4)10-11(3)6-2/h6H,4-5,7-10H2,1-3H3
InChIKeyIUGCASLHWGEQRM-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
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

3-methyl-5-methylidenenon-2-ene
CID 86209707
6,8-dimethylidenetridec-2-ene
CID 123762640
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
3-methylidenetetradecanoic acid
CID 89137857
4-methylidenenonadecane
CID 139983203
3-methylidenedecane
CID 21453024
4-methylidenetricosane
CID 139983205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidenedec-2-ene?
The IUPAC name of 3-methyl-5-methylidenedec-2-ene (CID 172548284) is 3-methyl-5-methylidenedec-2-ene.
What is the SMILES notation for 3-methyl-5-methylidenedec-2-ene?
The canonical SMILES for 3-methyl-5-methylidenedec-2-ene is C=C(CCCCC)CC(C)=CC.
What is the InChIKey of 3-methyl-5-methylidenedec-2-ene?
The InChIKey is IUGCASLHWGEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-8-9-12(4)10-11(3)6-2/h6H,4-5,7-10H2,1-3H3.
What are the key properties of 3-methyl-5-methylidenedec-2-ene?
3-methyl-5-methylidenedec-2-ene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidenedec-2-ene is sourced from PubChem (CID 172548284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).