3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene

C11H19IO2 — CID 166569661

IUPAC3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene
SMILESCCCOC(CI)OC1C=C(C)CC1
InChIInChI=1S/C11H19IO2/c1-3-6-13-11(8-12)14-10-5-4-9(2)7-10/h7,10-11H,3-6,8H2,1-2H3
InChIKeyMBDVGSQJDQUJDP-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.30
Rot. Bonds6

About 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene

3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene (PubChem CID 166569661) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene.

Molecular Properties

Compound Name3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene
PubChem CID166569661
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene
SMILESCCCOC(CI)OC1C=C(C)CC1
InChIInChI=1S/C11H19IO2/c1-3-6-13-11(8-12)14-10-5-4-9(2)7-10/h7,10-11H,3-6,8H2,1-2H3
InChIKeyMBDVGSQJDQUJDP-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Ethoxyethoxy)-3,7-dimethylocta-2,6-diene
CID 44149427
10-Ethoxy-8,10-dimethoxy-2,6-dimethyldeca-2,6-diene
CID 177700592
5-butyl-2,5-dimethoxy-2H-furan
CID 12216653
(3S)-3-(1-ethoxy-2-iodoethoxy)cyclohexene
CID 13829799
(3E)-5-ethoxy-2-ethyl-3-heptylideneoxolane
CID 13973915
5-(Ethoxymethoxy)-1-iodocyclopentene
CID 86034398
6-(Ethoxymethoxy)-1-iodocyclohexene
CID 86034399
5-(Ethoxymethoxy)-1-prop-2-enylcyclopentene
CID 86034407
(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene
CID 134887433
2-[(E)-4-[3-(iodomethyl)oxiran-2-yl]-3-methylbut-2-enoxy]oxane
CID 134890065
4-Methoxymethoxy-2-methyl-oct-2-ene
CID 542547
5-[1'-Ethoxyethoxy]-4-methyl-3-decene
CID 54052664

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene?
The IUPAC name of 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene (CID 166569661) is 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene.
What is the SMILES notation for 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene?
The canonical SMILES for 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene is CCCOC(CI)OC1C=C(C)CC1.
What is the InChIKey of 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene?
The InChIKey is MBDVGSQJDQUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-3-6-13-11(8-12)14-10-5-4-9(2)7-10/h7,10-11H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene?
3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene has a molecular weight of 310.18 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-1-propoxyethoxy)-1-methylcyclopentene is sourced from PubChem (CID 166569661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).