(E)-5-ethyl-5-(methoxymethyl)hept-2-ene

C11H22O — CID 89190135

IUPAC(E)-5-ethyl-5-(methoxymethyl)hept-2-ene
SMILESC/C=C/CC(CC)(CC)COC
InChIInChI=1S/C11H22O/c1-5-8-9-11(6-2,7-3)10-12-4/h5,8H,6-7,9-10H2,1-4H3/b8-5+
InChIKeyCCQBTIOBNNHMEO-VMPITWQZSA-N
MW170.30 g/mol
LogP3.41
Rot. Bonds6

About (E)-5-ethyl-5-(methoxymethyl)hept-2-ene

(E)-5-ethyl-5-(methoxymethyl)hept-2-ene (PubChem CID 89190135) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-5-ethyl-5-(methoxymethyl)hept-2-ene.

Molecular Properties

Compound Name(E)-5-ethyl-5-(methoxymethyl)hept-2-ene
PubChem CID89190135
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-5-ethyl-5-(methoxymethyl)hept-2-ene
SMILESC/C=C/CC(CC)(CC)COC
InChIInChI=1S/C11H22O/c1-5-8-9-11(6-2,7-3)10-12-4/h5,8H,6-7,9-10H2,1-4H3/b8-5+
InChIKeyCCQBTIOBNNHMEO-VMPITWQZSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-5-(methoxymethyl)hept-2-ene?
The IUPAC name of (E)-5-ethyl-5-(methoxymethyl)hept-2-ene (CID 89190135) is (E)-5-ethyl-5-(methoxymethyl)hept-2-ene.
What is the SMILES notation for (E)-5-ethyl-5-(methoxymethyl)hept-2-ene?
The canonical SMILES for (E)-5-ethyl-5-(methoxymethyl)hept-2-ene is C/C=C/CC(CC)(CC)COC.
What is the InChIKey of (E)-5-ethyl-5-(methoxymethyl)hept-2-ene?
The InChIKey is CCQBTIOBNNHMEO-VMPITWQZSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8-9-11(6-2,7-3)10-12-4/h5,8H,6-7,9-10H2,1-4H3/b8-5+.
What are the key properties of (E)-5-ethyl-5-(methoxymethyl)hept-2-ene?
(E)-5-ethyl-5-(methoxymethyl)hept-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-5-(methoxymethyl)hept-2-ene is sourced from PubChem (CID 89190135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).