(E)-2,5,9-trimethylundec-4-ene

C14H28 — CID 157140245

IUPAC(E)-2,5,9-trimethylundec-4-ene
SMILESCCC(C)CCC/C(C)=C/CC(C)C
InChIInChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h11-13H,6-10H2,1-5H3/b14-11+
InChIKeyMKHSINORGRWHNA-SDNWHVSQSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds7

About (E)-2,5,9-trimethylundec-4-ene

(E)-2,5,9-trimethylundec-4-ene (PubChem CID 157140245) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (E)-2,5,9-trimethylundec-4-ene.

Molecular Properties

Compound Name(E)-2,5,9-trimethylundec-4-ene
PubChem CID157140245
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(E)-2,5,9-trimethylundec-4-ene
SMILESCCC(C)CCC/C(C)=C/CC(C)C
InChIInChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h11-13H,6-10H2,1-5H3/b14-11+
InChIKeyMKHSINORGRWHNA-SDNWHVSQSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5,9-trimethylundec-4-ene?
The IUPAC name of (E)-2,5,9-trimethylundec-4-ene (CID 157140245) is (E)-2,5,9-trimethylundec-4-ene.
What is the SMILES notation for (E)-2,5,9-trimethylundec-4-ene?
The canonical SMILES for (E)-2,5,9-trimethylundec-4-ene is CCC(C)CCC/C(C)=C/CC(C)C.
What is the InChIKey of (E)-2,5,9-trimethylundec-4-ene?
The InChIKey is MKHSINORGRWHNA-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H28/c1-6-13(4)8-7-9-14(5)11-10-12(2)3/h11-13H,6-10H2,1-5H3/b14-11+.
What are the key properties of (E)-2,5,9-trimethylundec-4-ene?
(E)-2,5,9-trimethylundec-4-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,9-trimethylundec-4-ene is sourced from PubChem (CID 157140245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).