4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene

C17H32 — CID 123580296

IUPAC4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene
SMILESCC=CC(CC)=C(C)C(CC(C)CC)C(C)C
InChIInChI=1S/C17H32/c1-8-11-16(10-3)15(7)17(13(4)5)12-14(6)9-2/h8,11,13-14,17H,9-10,12H2,1-7H3
InChIKeyQCYQEJARPDMTEI-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.00
Rot. Bonds7

About 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene

4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene (PubChem CID 123580296) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene.

Molecular Properties

Compound Name4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene
PubChem CID123580296
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene
SMILESCC=CC(CC)=C(C)C(CC(C)CC)C(C)C
InChIInChI=1S/C17H32/c1-8-11-16(10-3)15(7)17(13(4)5)12-14(6)9-2/h8,11,13-14,17H,9-10,12H2,1-7H3
InChIKeyQCYQEJARPDMTEI-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene?
The IUPAC name of 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene (CID 123580296) is 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene.
What is the SMILES notation for 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene?
The canonical SMILES for 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene is CC=CC(CC)=C(C)C(CC(C)CC)C(C)C.
What is the InChIKey of 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene?
The InChIKey is QCYQEJARPDMTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-11-16(10-3)15(7)17(13(4)5)12-14(6)9-2/h8,11,13-14,17H,9-10,12H2,1-7H3.
What are the key properties of 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene?
4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene has a molecular weight of 236.44 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,8-dimethyl-6-propan-2-yldeca-2,4-diene is sourced from PubChem (CID 123580296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).