6-ethyl-10-methyldodeca-1,3-diene

C15H28 — CID 154162767

IUPAC6-ethyl-10-methyldodeca-1,3-diene
SMILESC=CC=CCC(CC)CCCC(C)CC
InChIInChI=1S/C15H28/c1-5-8-9-12-15(7-3)13-10-11-14(4)6-2/h5,8-9,14-15H,1,6-7,10-13H2,2-4H3
InChIKeyNQHWHNDAHACQQY-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.36
Rot. Bonds9

About 6-ethyl-10-methyldodeca-1,3-diene

6-ethyl-10-methyldodeca-1,3-diene (PubChem CID 154162767) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 6-ethyl-10-methyldodeca-1,3-diene.

Molecular Properties

Compound Name6-ethyl-10-methyldodeca-1,3-diene
PubChem CID154162767
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name6-ethyl-10-methyldodeca-1,3-diene
SMILESC=CC=CCC(CC)CCCC(C)CC
InChIInChI=1S/C15H28/c1-5-8-9-12-15(7-3)13-10-11-14(4)6-2/h5,8-9,14-15H,1,6-7,10-13H2,2-4H3
InChIKeyNQHWHNDAHACQQY-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-ethylundeca-1,3,10-triene
CID 123197586
3-ethyl-7-methylnonane
CID 526426
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethyl-8-methyldecane
CID 57490930
(3R,7R)-3,7-dimethylnonane
CID 42626759
11-ethyltrideca-1,3-diene
CID 163546682
7-ethyl-3-methylundecane
CID 57085432
(2E,4E)-7-ethyl-3,11-dimethyltrideca-2,4-dienoic acid
CID 21437578
7-ethyl-3,11-dimethyltrideca-2,4-dienoic acid
CID 54310202
3-ethyl-10-methyldodecane
CID 54169175
4,6,10-trimethyldodec-1-ene
CID 123808397
5-ethyl-9,16,19,19-tetramethylicos-2-ene
CID 91267212

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methyldodeca-1,3-diene?
The IUPAC name of 6-ethyl-10-methyldodeca-1,3-diene (CID 154162767) is 6-ethyl-10-methyldodeca-1,3-diene.
What is the SMILES notation for 6-ethyl-10-methyldodeca-1,3-diene?
The canonical SMILES for 6-ethyl-10-methyldodeca-1,3-diene is C=CC=CCC(CC)CCCC(C)CC.
What is the InChIKey of 6-ethyl-10-methyldodeca-1,3-diene?
The InChIKey is NQHWHNDAHACQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-8-9-12-15(7-3)13-10-11-14(4)6-2/h5,8-9,14-15H,1,6-7,10-13H2,2-4H3.
What are the key properties of 6-ethyl-10-methyldodeca-1,3-diene?
6-ethyl-10-methyldodeca-1,3-diene has a molecular weight of 208.39 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methyldodeca-1,3-diene is sourced from PubChem (CID 154162767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).