12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane

C18H34O7 — CID 10067212

IUPAC12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
SMILESC=CCOCCOCCOCC1(C)COCCOCCOCCOC1
InChIInChI=1S/C18H34O7/c1-3-4-19-5-6-20-9-12-23-15-18(2)16-24-13-10-21-7-8-22-11-14-25-17-18/h3H,1,4-17H2,2H3
InChIKeySEOQPGVVHYVZKB-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.31
Rot. Bonds10

About 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane

12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane (PubChem CID 10067212) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
PubChem CID10067212
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
SMILESC=CCOCCOCCOCC1(C)COCCOCCOCCOC1
InChIInChI=1S/C18H34O7/c1-3-4-19-5-6-20-9-12-23-15-18(2)16-24-13-10-21-7-8-22-11-14-25-17-18/h3H,1,4-17H2,2H3
InChIKeySEOQPGVVHYVZKB-UHFFFAOYSA-N
XLogP1.31
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.31
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

2,5,8,11-Tetraoxatetradec-13-ene
CID 88195
3,3'-((2,2-Bis((allyloxy)methyl)-1,3-propanediyl)bis(oxy))dipropene
CID 73855
Pentaethylene glycol allyl methyl ether
CID 18327880
3-{2,2-Dimethyl-3-[(prop-2-en-1-yl)oxy]propoxy}prop-1-ene
CID 57118882
Hexaethylene glycol allyl methyl ether
CID 57724745
2,5,8,11,14-Pentaoxaheptadec-16-ene
CID 19986596
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
CID 125489573
1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23-octaoxabicyclo[10.6.6]tetracosane
CID 10003795
1,12-Dimethyl-6-(prop-2-enoxymethyl)-2,5,8,11,14,17,20,23,26,29-decaoxabicyclo[10.9.9]triacontane
CID 21782160
2-Methyl-1,3-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)propane
CID 10657693
1,3-Bis(prop-2-enoxy)-2-[[3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propoxy]methyl]-2-(prop-2-enoxymethyl)propane
CID 11145453
3-[2-[2-[2-[2-[2-[2-[2-(2-Prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 11419564

Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane (CID 10067212) is 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane is C=CCOCCOCCOCC1(C)COCCOCCOCCOC1.
What is the InChIKey of 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is SEOQPGVVHYVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7/c1-3-4-19-5-6-20-9-12-23-15-18(2)16-24-13-10-21-7-8-22-11-14-25-17-18/h3H,1,4-17H2,2H3.
What are the key properties of 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane?
12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 362.46 g/mol, XLogP of 1.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-[2-(2-prop-2-enoxyethoxy)ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 10067212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).