(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene

C10H19IO2 — CID 88795158

IUPAC(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
SMILESCCOC(C)O[C@H](/C=C/I)C(C)C
InChIInChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m1/s1
InChIKeyHYZFKIDHRAXRQY-NBASYVHMSA-N
MW298.16 g/mol
LogP3.36
Rot. Bonds6

About (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene

(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene (PubChem CID 88795158) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene.

Molecular Properties

Compound Name(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
PubChem CID88795158
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
SMILESCCOC(C)O[C@H](/C=C/I)C(C)C
InChIInChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m1/s1
InChIKeyHYZFKIDHRAXRQY-NBASYVHMSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene
CID 71430008
1,1-diethoxyethane
CID 7765
1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
CID 23344515
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
(2R)-2-ethoxy-3-methylbutanal
CID 124526091
carbonic acid;1,1-diethoxyethane
CID 87827362
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-(1-ethoxyethoxy)propylsilane
CID 175194078
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The IUPAC name of (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene (CID 88795158) is (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene.
What is the SMILES notation for (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The canonical SMILES for (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene is CCOC(C)O[C@H](/C=C/I)C(C)C.
What is the InChIKey of (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The InChIKey is HYZFKIDHRAXRQY-NBASYVHMSA-N. The full InChI is InChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m1/s1.
What are the key properties of (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene has a molecular weight of 298.16 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene is sourced from PubChem (CID 88795158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).