2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene

C14H27O+ — CID 123618523

IUPAC2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene
SMILESC=C(OCC)C([CH2+])(C)CC(C)(CC)CC
InChIInChI=1S/C14H27O/c1-8-14(7,9-2)11-13(5,6)12(4)15-10-3/h4-5,8-11H2,1-3,6-7H3/q+1
InChIKeyDWHPRELHLMBYQA-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.59
Rot. Bonds7

About 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene

2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene (PubChem CID 123618523) has the molecular formula C14H27O+ and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene.

Molecular Properties

Compound Name2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene
PubChem CID123618523
Molecular FormulaC14H27O+
Molecular Weight211.37 g/mol
Exact Mass211.21
IUPAC Name2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene
SMILESC=C(OCC)C([CH2+])(C)CC(C)(CC)CC
InChIInChI=1S/C14H27O/c1-8-14(7,9-2)11-13(5,6)12(4)15-10-3/h4-5,8-11H2,1-3,6-7H3/q+1
InChIKeyDWHPRELHLMBYQA-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-3-ethoxy-N,2-dimethylbut-3-en-2-amine
CID 23599183
4-(aminomethyl)-2,4-dimethylhexan-2-ol
CID 89363832
3-ethyl-3-methylpentane;methanol
CID 143799596
CID 23599189
CID 23599189
N-(chloromethyl)-3-ethoxy-N,2-dimethanidylbut-3-en-2-amine;tungsten(2+);yttrium
CID 23637831
O-ethyl 3-(2,3-dimethylbutan-2-yloxy)but-3-en-2-ylsulfanylmethanethioate
CID 175622911
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol
CID 10242299
ethene;3-ethyl-3-methylpentane;pent-1-en-2-amine
CID 144515600
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
ethane;3-ethyl-3-methylpentane;methane;1,4-xylene
CID 158034603
ethyl (3R)-3-ethyl-2,2,3,5,5-pentamethylheptanoate
CID 130341585

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene?
The IUPAC name of 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene (CID 123618523) is 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene.
What is the SMILES notation for 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene?
The canonical SMILES for 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene is C=C(OCC)C([CH2+])(C)CC(C)(CC)CC.
What is the InChIKey of 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene?
The InChIKey is DWHPRELHLMBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O/c1-8-14(7,9-2)11-13(5,6)12(4)15-10-3/h4-5,8-11H2,1-3,6-7H3/q+1.
What are the key properties of 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene?
2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene has a molecular weight of 211.37 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethyl-3,5-dimethyl-3-methylhept-1-ene is sourced from PubChem (CID 123618523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).