3,7,11-trimethyldodec-1-ene

C15H30 — CID 528443

IUPAC3,7,11-trimethyldodec-1-ene
SMILESC=CC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3
InChIKeyYRTZHYFUDNIOGV-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.44
Rot. Bonds9

About 3,7,11-trimethyldodec-1-ene

3,7,11-trimethyldodec-1-ene (PubChem CID 528443) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 3,7,11-trimethyldodec-1-ene.

Molecular Properties

Compound Name3,7,11-trimethyldodec-1-ene
PubChem CID528443
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name3,7,11-trimethyldodec-1-ene
SMILESC=CC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3
InChIKeyYRTZHYFUDNIOGV-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodec-1-ene?
The IUPAC name of 3,7,11-trimethyldodec-1-ene (CID 528443) is 3,7,11-trimethyldodec-1-ene.
What is the SMILES notation for 3,7,11-trimethyldodec-1-ene?
The canonical SMILES for 3,7,11-trimethyldodec-1-ene is C=CC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11-trimethyldodec-1-ene?
The InChIKey is YRTZHYFUDNIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3.
What are the key properties of 3,7,11-trimethyldodec-1-ene?
3,7,11-trimethyldodec-1-ene has a molecular weight of 210.41 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodec-1-ene is sourced from PubChem (CID 528443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).