5,6,7-trimethyldeca-2,6-diene

C13H24 — CID 123505419

IUPAC5,6,7-trimethyldeca-2,6-diene
SMILESCC=CCC(C)C(C)=C(C)CCC
InChIInChI=1S/C13H24/c1-6-8-10-12(4)13(5)11(3)9-7-2/h6,8,12H,7,9-10H2,1-5H3
InChIKeyYDBOLCBHCYPPJO-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.73
Rot. Bonds5

About 5,6,7-trimethyldeca-2,6-diene

5,6,7-trimethyldeca-2,6-diene (PubChem CID 123505419) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 5,6,7-trimethyldeca-2,6-diene.

Molecular Properties

Compound Name5,6,7-trimethyldeca-2,6-diene
PubChem CID123505419
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name5,6,7-trimethyldeca-2,6-diene
SMILESCC=CCC(C)C(C)=C(C)CCC
InChIInChI=1S/C13H24/c1-6-8-10-12(4)13(5)11(3)9-7-2/h6,8,12H,7,9-10H2,1-5H3
InChIKeyYDBOLCBHCYPPJO-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyldeca-2,6-diene
CID 91199113
4-methyloct-6-en-3-one
CID 73301984
calcium;hydride;3-methylhept-5-en-2-one
CID 175109385
(E)-2-methylhex-4-enamide
CID 126589197
(E)-2-(2-methylpentanoylamino)hex-4-enoic acid
CID 120694191
(E)-4,5-dimethyloct-4-ene
CID 12714364
5-ethyl-6-methylhept-2-ene
CID 54081587
5,6-dimethyldeca-1,4,8-triene
CID 59970929
14,15,16-trimethylheptadeca-2,6,10,14-tetraene
CID 173098603
ethane;5-methylhex-2-ene;propane
CID 143336274
(E)-5-methylhept-2-ene
CID 5364849
(Z,3S,5R)-3-ethyl-4,5-dimethylnon-7-en-2-one
CID 90350771

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyldeca-2,6-diene?
The IUPAC name of 5,6,7-trimethyldeca-2,6-diene (CID 123505419) is 5,6,7-trimethyldeca-2,6-diene.
What is the SMILES notation for 5,6,7-trimethyldeca-2,6-diene?
The canonical SMILES for 5,6,7-trimethyldeca-2,6-diene is CC=CCC(C)C(C)=C(C)CCC.
What is the InChIKey of 5,6,7-trimethyldeca-2,6-diene?
The InChIKey is YDBOLCBHCYPPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-8-10-12(4)13(5)11(3)9-7-2/h6,8,12H,7,9-10H2,1-5H3.
What are the key properties of 5,6,7-trimethyldeca-2,6-diene?
5,6,7-trimethyldeca-2,6-diene has a molecular weight of 180.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyldeca-2,6-diene is sourced from PubChem (CID 123505419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).