(E)-2,2,9-trimethyldec-4-ene

C13H26 — CID 176646418

IUPAC(E)-2,2,9-trimethyldec-4-ene
SMILESCC(C)CCC/C=C/CC(C)(C)C
InChIInChI=1S/C13H26/c1-12(2)10-8-6-7-9-11-13(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyMSEKHXHGFRUJMZ-VQHVLOKHSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds5

About (E)-2,2,9-trimethyldec-4-ene

(E)-2,2,9-trimethyldec-4-ene (PubChem CID 176646418) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-2,2,9-trimethyldec-4-ene.

Molecular Properties

Compound Name(E)-2,2,9-trimethyldec-4-ene
PubChem CID176646418
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-2,2,9-trimethyldec-4-ene
SMILESCC(C)CCC/C=C/CC(C)(C)C
InChIInChI=1S/C13H26/c1-12(2)10-8-6-7-9-11-13(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+
InChIKeyMSEKHXHGFRUJMZ-VQHVLOKHSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,12-dimethyltridec-6-ene
CID 176630963
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
8-methylnon-3-ene
CID 54424784
(E)-N-tert-butyl-8-methylnon-3-en-1-amine
CID 83162447
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(E)-1-iodo-7-methyloct-2-ene
CID 139749748
(Z)-8-methylnon-3-en-1-ol
CID 88790350
(E)-2,11-dimethyldodec-5-ene
CID 168834978

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,9-trimethyldec-4-ene?
The IUPAC name of (E)-2,2,9-trimethyldec-4-ene (CID 176646418) is (E)-2,2,9-trimethyldec-4-ene.
What is the SMILES notation for (E)-2,2,9-trimethyldec-4-ene?
The canonical SMILES for (E)-2,2,9-trimethyldec-4-ene is CC(C)CCC/C=C/CC(C)(C)C.
What is the InChIKey of (E)-2,2,9-trimethyldec-4-ene?
The InChIKey is MSEKHXHGFRUJMZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H26/c1-12(2)10-8-6-7-9-11-13(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3/b9-7+.
What are the key properties of (E)-2,2,9-trimethyldec-4-ene?
(E)-2,2,9-trimethyldec-4-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,9-trimethyldec-4-ene is sourced from PubChem (CID 176646418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).