4,6-dimethyldodec-1-ene

C14H28 — CID 170848376

IUPAC4,6-dimethyldodec-1-ene
SMILESC=CCC(C)CC(C)CCCCCC
InChIInChI=1S/C14H28/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyRRIWIBNIVNBUSA-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds9

About 4,6-dimethyldodec-1-ene

4,6-dimethyldodec-1-ene (PubChem CID 170848376) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4,6-dimethyldodec-1-ene.

Molecular Properties

Compound Name4,6-dimethyldodec-1-ene
PubChem CID170848376
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4,6-dimethyldodec-1-ene
SMILESC=CCC(C)CC(C)CCCCCC
InChIInChI=1S/C14H28/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyRRIWIBNIVNBUSA-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
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

6,8-dimethylhexadecane
CID 91185725
4,6,10-trimethyldodec-1-ene
CID 123808397
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
2,24,26-trimethyldotetracontane
CID 91249721
3,5-dimethylpentacosane
CID 86177199
8-methylnonadec-1-ene
CID 90877384
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyldodec-1-ene?
The IUPAC name of 4,6-dimethyldodec-1-ene (CID 170848376) is 4,6-dimethyldodec-1-ene.
What is the SMILES notation for 4,6-dimethyldodec-1-ene?
The canonical SMILES for 4,6-dimethyldodec-1-ene is C=CCC(C)CC(C)CCCCCC.
What is the InChIKey of 4,6-dimethyldodec-1-ene?
The InChIKey is RRIWIBNIVNBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of 4,6-dimethyldodec-1-ene?
4,6-dimethyldodec-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyldodec-1-ene is sourced from PubChem (CID 170848376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).