(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene

C11H22O — CID 177330593

IUPAC(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene
SMILESCCOC/C=C/C(CC)C(C)C
InChIInChI=1S/C11H22O/c1-5-11(10(3)4)8-7-9-12-6-2/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
InChIKeyMGFJSOWOFJCTQI-BQYQJAHWSA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds6

About (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene

(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene (PubChem CID 177330593) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene
PubChem CID177330593
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene
SMILESCCOC/C=C/C(CC)C(C)C
InChIInChI=1S/C11H22O/c1-5-11(10(3)4)8-7-9-12-6-2/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
InChIKeyMGFJSOWOFJCTQI-BQYQJAHWSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene
CID 89236071
5-ethyl-6-methyloct-3-ene
CID 90715471
5-ethyl-6-methylhepta-1,3-diene
CID 91204773
1-chloro-4-ethoxybut-2-ene
CID 567303
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
8,9-dimethyl-4-propan-2-ylundec-5-ene
CID 123486023
5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine
CID 79599561
8-methyl-5-propan-2-ylnon-3-ene
CID 123416955
1-ethoxy-4,4,5,5,6,6,7,7,7-nonafluorohept-2-ene
CID 139974730
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
(Z)-1-ethoxynon-2-ene
CID 164754073
2,3-dimethylbutanal;ethoxyethane
CID 126485653

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene?
The IUPAC name of (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene (CID 177330593) is (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene.
What is the SMILES notation for (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene?
The canonical SMILES for (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene is CCOC/C=C/C(CC)C(C)C.
What is the InChIKey of (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene?
The InChIKey is MGFJSOWOFJCTQI-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O/c1-5-11(10(3)4)8-7-9-12-6-2/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+.
What are the key properties of (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene?
(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-4-ethyl-5-methylhex-2-ene is sourced from PubChem (CID 177330593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).