4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene

C17H30 — CID 173351227

IUPAC4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene
SMILESC=CCCCCC(=CC(C)C)CC(C)CC=C
InChIInChI=1S/C17H30/c1-6-8-9-10-12-17(13-15(3)4)14-16(5)11-7-2/h6-7,13,15-16H,1-2,8-12,14H2,3-5H3
InChIKeyYSHKZIXASGDJFJ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.92
Rot. Bonds10

About 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene

4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene (PubChem CID 173351227) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene.

Molecular Properties

Compound Name4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene
PubChem CID173351227
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene
SMILESC=CCCCCC(=CC(C)C)CC(C)CC=C
InChIInChI=1S/C17H30/c1-6-8-9-10-12-17(13-15(3)4)14-16(5)11-7-2/h6-7,13,15-16H,1-2,8-12,14H2,3-5H3
InChIKeyYSHKZIXASGDJFJ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.92
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

4-methyl-6-(2-methylbutylidene)dodeca-1,11-diene
CID 173347034
7-ethylnona-1,7-diene
CID 54551079
2,2,3-trimethyldodec-11-en-5-one
CID 107011244
ethane;4-methylocta-1,7-diene
CID 144616064
28-hexylpentaconta-1,28-diene
CID 90932256
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
7-methylundec-1-ene
CID 522554
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
7-ethyl-8-methylnona-1,7-diene
CID 174916778
8-methylnonadec-1-ene
CID 90877384
dec-9-ene-2,3-diol
CID 107008756
13-methylhexadec-1-ene
CID 71373615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene?
The IUPAC name of 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene (CID 173351227) is 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene.
What is the SMILES notation for 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene?
The canonical SMILES for 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene is C=CCCCCC(=CC(C)C)CC(C)CC=C.
What is the InChIKey of 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene?
The InChIKey is YSHKZIXASGDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-6-8-9-10-12-17(13-15(3)4)14-16(5)11-7-2/h6-7,13,15-16H,1-2,8-12,14H2,3-5H3.
What are the key properties of 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene?
4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene has a molecular weight of 234.43 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpropylidene)dodeca-1,11-diene is sourced from PubChem (CID 173351227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).