2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

C16H30O7 — CID 13070592

IUPAC2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CCOCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O7/c1-2-3-21-14-16-15-22-11-10-19-7-6-17-4-5-18-8-9-20-12-13-23-16/h2,16H,1,3-15H2
InChIKeyPVEMXXSASUDFKJ-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.67
Rot. Bonds4

About 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane

2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 13070592) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID13070592
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESC=CCOCC1COCCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O7/c1-2-3-21-14-16-15-22-11-10-19-7-6-17-4-5-18-8-9-20-12-13-23-16/h2,16H,1,3-15H2
InChIKeyPVEMXXSASUDFKJ-UHFFFAOYSA-N
XLogP0.67
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
2-chloro-3-methyloxirane;2-methyloxirane;oxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454487
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
2-[[4-[[4-[4-(7-prop-2-enoxyheptoxy)phenyl]phenoxy]methyl]phenyl]methoxymethyl]-1,4,7,10-tetraoxacyclododecane
CID 101174517
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
2-pent-4-enyl-1,4-dioxane
CID 174797521
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667
2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454485

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 13070592) is 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is C=CCOCC1COCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is PVEMXXSASUDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7/c1-2-3-21-14-16-15-22-11-10-19-7-6-17-4-5-18-8-9-20-12-13-23-16/h2,16H,1,3-15H2.
What are the key properties of 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 334.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 13070592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).