ethoxymethoxymethoxyethane;6-iodohexylcyclopropane

C15H31IO3 — CID 175225188

IUPACethoxymethoxymethoxyethane;6-iodohexylcyclopropane
SMILESCCOCOCOCC.ICCCCCCC1CC1
InChIInChI=1S/C9H17I.C6H14O3/c10-8-4-2-1-3-5-9-6-7-9;1-3-7-5-9-6-8-4-2/h9H,1-8H2;3-6H2,1-2H3
InChIKeyRWUDQSQYIFAXFF-UHFFFAOYSA-N
MW386.31 g/mol
LogP4.77
Rot. Bonds12

About ethoxymethoxymethoxyethane;6-iodohexylcyclopropane

ethoxymethoxymethoxyethane;6-iodohexylcyclopropane (PubChem CID 175225188) has the molecular formula C15H31IO3 and a molecular weight of 386.31 g/mol. Its IUPAC name is ethoxymethoxymethoxyethane;6-iodohexylcyclopropane.

Molecular Properties

Compound Nameethoxymethoxymethoxyethane;6-iodohexylcyclopropane
PubChem CID175225188
Molecular FormulaC15H31IO3
Molecular Weight386.31 g/mol
Exact Mass386.13
IUPAC Nameethoxymethoxymethoxyethane;6-iodohexylcyclopropane
SMILESCCOCOCOCC.ICCCCCCC1CC1
InChIInChI=1S/C9H17I.C6H14O3/c10-8-4-2-1-3-5-9-6-7-9;1-3-7-5-9-6-8-4-2/h9H,1-8H2;3-6H2,1-2H3
InChIKeyRWUDQSQYIFAXFF-UHFFFAOYSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

5-bromopentylcyclohexane;5-iodopentylcyclohexane
CID 160945423
1,4-dihexylcyclohexane
CID 22947938
3-iodopropylcyclopentane
CID 15508337
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464

Frequently Asked Questions

What is the IUPAC name of ethoxymethoxymethoxyethane;6-iodohexylcyclopropane?
The IUPAC name of ethoxymethoxymethoxyethane;6-iodohexylcyclopropane (CID 175225188) is ethoxymethoxymethoxyethane;6-iodohexylcyclopropane.
What is the SMILES notation for ethoxymethoxymethoxyethane;6-iodohexylcyclopropane?
The canonical SMILES for ethoxymethoxymethoxyethane;6-iodohexylcyclopropane is CCOCOCOCC.ICCCCCCC1CC1.
What is the InChIKey of ethoxymethoxymethoxyethane;6-iodohexylcyclopropane?
The InChIKey is RWUDQSQYIFAXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17I.C6H14O3/c10-8-4-2-1-3-5-9-6-7-9;1-3-7-5-9-6-8-4-2/h9H,1-8H2;3-6H2,1-2H3.
What are the key properties of ethoxymethoxymethoxyethane;6-iodohexylcyclopropane?
ethoxymethoxymethoxyethane;6-iodohexylcyclopropane has a molecular weight of 386.31 g/mol, XLogP of 4.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethoxymethoxyethane;6-iodohexylcyclopropane is sourced from PubChem (CID 175225188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).