12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane

C22H42O8 — CID 14205920

IUPAC12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
SMILESCC(C)C(C1COCCOCCOCCOC1)C1COCCOCCOCCOC1
InChIInChI=1S/C22H42O8/c1-19(2)22(20-15-27-11-7-23-3-4-24-8-12-28-16-20)21-17-29-13-9-25-5-6-26-10-14-30-18-21/h19-22H,3-18H2,1-2H3
InChIKeyMOMKTZMRSRRCOW-UHFFFAOYSA-N
MW434.57 g/mol
LogP1.65
Rot. Bonds3

About 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane

12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane (PubChem CID 14205920) has the molecular formula C22H42O8 and a molecular weight of 434.57 g/mol. Its IUPAC name is 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
PubChem CID14205920
Molecular FormulaC22H42O8
Molecular Weight434.57 g/mol
Exact Mass434.29
IUPAC Name12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane
SMILESCC(C)C(C1COCCOCCOCCOC1)C1COCCOCCOCCOC1
InChIInChI=1S/C22H42O8/c1-19(2)22(20-15-27-11-7-23-3-4-24-8-12-28-16-20)21-17-29-13-9-25-5-6-26-10-14-30-18-21/h19-22H,3-18H2,1-2H3
InChIKeyMOMKTZMRSRRCOW-UHFFFAOYSA-N
XLogP1.65
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane with MolForge

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Related Compounds

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(1R)-1-[(3S)-oxolan-3-yl]ethanamine
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9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
CID 560657

Frequently Asked Questions

What is the IUPAC name of 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane (CID 14205920) is 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane is CC(C)C(C1COCCOCCOCCOC1)C1COCCOCCOCCOC1.
What is the InChIKey of 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is MOMKTZMRSRRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O8/c1-19(2)22(20-15-27-11-7-23-3-4-24-8-12-28-16-20)21-17-29-13-9-25-5-6-26-10-14-30-18-21/h19-22H,3-18H2,1-2H3.
What are the key properties of 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane?
12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 434.57 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-methyl-1-(1,4,7,10-tetraoxacyclotridec-12-yl)propyl]-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 14205920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).