(E)-2,5,6-trimethyloct-4-ene

C11H22 — CID 144800486

IUPAC(E)-2,5,6-trimethyloct-4-ene
SMILESCCC(C)/C(C)=C/CC(C)C
InChIInChI=1S/C11H22/c1-6-10(4)11(5)8-7-9(2)3/h8-10H,6-7H2,1-5H3/b11-8+
InChIKeyKTTCTUSKBVREBP-DHZHZOJOSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds4

About (E)-2,5,6-trimethyloct-4-ene

(E)-2,5,6-trimethyloct-4-ene (PubChem CID 144800486) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E)-2,5,6-trimethyloct-4-ene.

Molecular Properties

Compound Name(E)-2,5,6-trimethyloct-4-ene
PubChem CID144800486
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E)-2,5,6-trimethyloct-4-ene
SMILESCCC(C)/C(C)=C/CC(C)C
InChIInChI=1S/C11H22/c1-6-10(4)11(5)8-7-9(2)3/h8-10H,6-7H2,1-5H3/b11-8+
InChIKeyKTTCTUSKBVREBP-DHZHZOJOSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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

(Z)-4,5-dimethylhept-3-ene
CID 142511472
5,6,9-trimethyldeca-3,6-diene
CID 123852281
(4E)-2,3,5,6-tetramethylocta-2,4-diene
CID 145376996
(E)-2,5-dimethyloct-4-ene
CID 173056267
N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
N-[(Z)-5-methylhex-2-en-2-yl]propan-1-imine
CID 135192518
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
CID 91455933
butan-2-one;3-methylbutanal
CID 158821469
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424

Frequently Asked Questions

What is the IUPAC name of (E)-2,5,6-trimethyloct-4-ene?
The IUPAC name of (E)-2,5,6-trimethyloct-4-ene (CID 144800486) is (E)-2,5,6-trimethyloct-4-ene.
What is the SMILES notation for (E)-2,5,6-trimethyloct-4-ene?
The canonical SMILES for (E)-2,5,6-trimethyloct-4-ene is CCC(C)/C(C)=C/CC(C)C.
What is the InChIKey of (E)-2,5,6-trimethyloct-4-ene?
The InChIKey is KTTCTUSKBVREBP-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(4)11(5)8-7-9(2)3/h8-10H,6-7H2,1-5H3/b11-8+.
What are the key properties of (E)-2,5,6-trimethyloct-4-ene?
(E)-2,5,6-trimethyloct-4-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,6-trimethyloct-4-ene is sourced from PubChem (CID 144800486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).