2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene

C17H30 — CID 91545599

IUPAC2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene
SMILESC=C=CC(=CCC(C)C)CCCCCC(C)C
InChIInChI=1S/C17H30/c1-6-10-17(14-13-16(4)5)12-9-7-8-11-15(2)3/h10,14-16H,1,7-9,11-13H2,2-5H3
InChIKeyYGSNBBKXPSURNU-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.91
Rot. Bonds9

About 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene

2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene (PubChem CID 91545599) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene.

Molecular Properties

Compound Name2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene
PubChem CID91545599
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene
SMILESC=C=CC(=CCC(C)C)CCCCCC(C)C
InChIInChI=1S/C17H30/c1-6-10-17(14-13-16(4)5)12-9-7-8-11-15(2)3/h10,14-16H,1,7-9,11-13H2,2-5H3
InChIKeyYGSNBBKXPSURNU-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene?
The IUPAC name of 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene (CID 91545599) is 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene.
What is the SMILES notation for 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene?
The canonical SMILES for 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene is C=C=CC(=CCC(C)C)CCCCCC(C)C.
What is the InChIKey of 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene?
The InChIKey is YGSNBBKXPSURNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-6-10-17(14-13-16(4)5)12-9-7-8-11-15(2)3/h10,14-16H,1,7-9,11-13H2,2-5H3.
What are the key properties of 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene?
2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene has a molecular weight of 234.43 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyl-5-propa-1,2-dienyldodec-4-ene is sourced from PubChem (CID 91545599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).