(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene

C28H56 — CID 159167513

IUPAC(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene
SMILESC=CC(C(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)C=C(C(C)C)C(C)C
InChIInChI=1S/C11H22.C9H18.C8H16/c1-8(2)7-11(9(3)4)10(5)6;1-6-9(7(2)3)8(4)5;1-7(2)5-6-8(3)4/h7-10H,1-6H3;6-9H,1H2,2-5H3;5-8H,1-4H3/b;;6-5+
InChIKeyKLGLYFUDESMDSC-PNVBZASYSA-N
MW392.76 g/mol
LogP9.84
Rot. Bonds8

About (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene

(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene (PubChem CID 159167513) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene.

Molecular Properties

Compound Name(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene
PubChem CID159167513
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene
SMILESC=CC(C(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)C=C(C(C)C)C(C)C
InChIInChI=1S/C11H22.C9H18.C8H16/c1-8(2)7-11(9(3)4)10(5)6;1-6-9(7(2)3)8(4)5;1-7(2)5-6-8(3)4/h7-10H,1-6H3;6-9H,1H2,2-5H3;5-8H,1-4H3/b;;6-5+
InChIKeyKLGLYFUDESMDSC-PNVBZASYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 59.84
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

(3S,4R,5E)-3,4,7-trimethylocta-1,5-dien-4-ol
CID 10374826
(Z)-3-methylbut-1-en-1-ol
CID 58488783
3,4,6-trimethylhepta-1,4-diene
CID 123908234
azane;4-methylpent-1-en-3-ol
CID 175575018
3-methylbut-1-ene;hydrobromide
CID 158395600
2,4-dimethyl-3-propan-2-ylhex-5-en-3-ol
CID 11263753
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
(Z,5R)-2,5,6-trimethylhept-3-ene
CID 155647530
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
4-methyl-5-methylsulfanyl-3-propan-2-ylpent-1-ene
CID 170369684
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698

Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene?
The IUPAC name of (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene (CID 159167513) is (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene.
What is the SMILES notation for (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene?
The canonical SMILES for (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene is C=CC(C(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)C=C(C(C)C)C(C)C.
What is the InChIKey of (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene?
The InChIKey is KLGLYFUDESMDSC-PNVBZASYSA-N. The full InChI is InChI=1S/C11H22.C9H18.C8H16/c1-8(2)7-11(9(3)4)10(5)6;1-6-9(7(2)3)8(4)5;1-7(2)5-6-8(3)4/h7-10H,1-6H3;6-9H,1H2,2-5H3;5-8H,1-4H3/b;;6-5+.
What are the key properties of (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene?
(E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene has a molecular weight of 392.76 g/mol, XLogP of 9.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dimethylhex-3-ene;2,5-dimethyl-3-propan-2-ylhex-3-ene;4-methyl-3-propan-2-ylpent-1-ene is sourced from PubChem (CID 159167513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).