5,6,9-trimethyldeca-3,6-diene

C13H24 — CID 123852281

IUPAC5,6,9-trimethyldeca-3,6-diene
SMILESCCC=CC(C)C(C)=CCC(C)C
InChIInChI=1S/C13H24/c1-6-7-8-12(4)13(5)10-9-11(2)3/h7-8,10-12H,6,9H2,1-5H3
InChIKeyIVEUKYACNQAKAC-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds5

About 5,6,9-trimethyldeca-3,6-diene

5,6,9-trimethyldeca-3,6-diene (PubChem CID 123852281) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 5,6,9-trimethyldeca-3,6-diene.

Molecular Properties

Compound Name5,6,9-trimethyldeca-3,6-diene
PubChem CID123852281
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name5,6,9-trimethyldeca-3,6-diene
SMILESCCC=CC(C)C(C)=CCC(C)C
InChIInChI=1S/C13H24/c1-6-7-8-12(4)13(5)10-9-11(2)3/h7-8,10-12H,6,9H2,1-5H3
InChIKeyIVEUKYACNQAKAC-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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

(E)-2,5,6-trimethyloct-4-ene
CID 144800486
(2E,5E)-3,4-dimethylnona-2,5-dien-1-ol
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N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
(E)-7,8-difluoro-2,5,6,9,10,13-hexamethyltetradec-4-ene
CID 144864514
methyl 2-methylhex-3-enoate
CID 544076
(E)-2,5-dimethyloct-4-ene
CID 173056267
(Z)-N-methyl-N-prop-1-en-2-ylhex-3-en-2-amine
CID 160560339
8-methyl-5-propan-2-ylnon-3-ene
CID 123416955
(3Z,5E)-5-(difluoromethoxy)-8-methylnona-3,5-diene
CID 163506175
2-methylhept-4-en-3-ol
CID 54499499

Frequently Asked Questions

What is the IUPAC name of 5,6,9-trimethyldeca-3,6-diene?
The IUPAC name of 5,6,9-trimethyldeca-3,6-diene (CID 123852281) is 5,6,9-trimethyldeca-3,6-diene.
What is the SMILES notation for 5,6,9-trimethyldeca-3,6-diene?
The canonical SMILES for 5,6,9-trimethyldeca-3,6-diene is CCC=CC(C)C(C)=CCC(C)C.
What is the InChIKey of 5,6,9-trimethyldeca-3,6-diene?
The InChIKey is IVEUKYACNQAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-8-12(4)13(5)10-9-11(2)3/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of 5,6,9-trimethyldeca-3,6-diene?
5,6,9-trimethyldeca-3,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9-trimethyldeca-3,6-diene is sourced from PubChem (CID 123852281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).