(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene

C12H23IO2 — CID 14670433

IUPAC(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene
SMILESCCCCCC(/C=C\I)OC(C)OCC
InChIInChI=1S/C12H23IO2/c1-4-6-7-8-12(9-10-13)15-11(3)14-5-2/h9-12H,4-8H2,1-3H3/b10-9-
InChIKeyKTBUGNSRUZRREG-KTKRTIGZSA-N
MW326.22 g/mol
LogP4.28
Rot. Bonds9

About (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene

(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene (PubChem CID 14670433) has the molecular formula C12H23IO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene.

Molecular Properties

Compound Name(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene
PubChem CID14670433
Molecular FormulaC12H23IO2
Molecular Weight326.22 g/mol
Exact Mass326.07
IUPAC Name(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene
SMILESCCCCCC(/C=C\I)OC(C)OCC
InChIInChI=1S/C12H23IO2/c1-4-6-7-8-12(9-10-13)15-11(3)14-5-2/h9-12H,4-8H2,1-3H3/b10-9-
InChIKeyKTBUGNSRUZRREG-KTKRTIGZSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-iodo-3-(methoxymethoxy)hex-1-ene
CID 15262314
2-Oct-1-en-3-yloxyoxane
CID 10727282
2-[(E,3S)-1-iodooct-1-en-3-yl]oxyoxane
CID 14077178
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
1-Octene, 3-(methoxymethoxy)-
CID 542474
1-Octene, 3-(1-butoxy-2-iodoethoxy)-
CID 11100304
(2S,3R)-3-iodo-2-oct-1-en-3-yloxyoxane
CID 11110519
3-(2-Bromo-1-butoxyethoxy)oct-1-ene
CID 11243716
6-Iodo-3-(methoxymethoxy)hex-1-ene
CID 12176003
(3S)-3-(1-ethoxy-2-iodoethoxy)cyclohexene
CID 13829799
3-(Methoxymethoxy)non-1-ene
CID 14172396
(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane
CID 53362875

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene?
The IUPAC name of (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene (CID 14670433) is (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene.
What is the SMILES notation for (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene?
The canonical SMILES for (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene is CCCCCC(/C=C\I)OC(C)OCC.
What is the InChIKey of (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene?
The InChIKey is KTBUGNSRUZRREG-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H23IO2/c1-4-6-7-8-12(9-10-13)15-11(3)14-5-2/h9-12H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene?
(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene has a molecular weight of 326.22 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene is sourced from PubChem (CID 14670433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).