12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane

C15H28O6 — CID 15721737

IUPAC12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane
SMILESCC1(OCC2CCCO2)COCCOCCOCCOC1
InChIInChI=1S/C15H28O6/c1-15(21-11-14-3-2-4-20-14)12-18-9-7-16-5-6-17-8-10-19-13-15/h14H,2-13H2,1H3
InChIKeyDNSWIDAFYCJCMK-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.02
Rot. Bonds3

About 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane

12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane (PubChem CID 15721737) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane.

Molecular Properties

Compound Name12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane
PubChem CID15721737
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane
SMILESCC1(OCC2CCCO2)COCCOCCOCCOC1
InChIInChI=1S/C15H28O6/c1-15(21-11-14-3-2-4-20-14)12-18-9-7-16-5-6-17-8-10-19-13-15/h14H,2-13H2,1H3
InChIKeyDNSWIDAFYCJCMK-UHFFFAOYSA-N
XLogP1.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Butoxymethyl)tetrahydrofuran
CID 4581212
1,4-Anhydro-2,3,5-tri-O-methyl-D-ribitol
CID 6428066
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
Tetrahydrofurfuryl isopropyl ether
CID 13763952
3-Methoxy-2-(methoxymethyl)oxolane
CID 58844104
(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
CID 173315719
2-(tert-Butoxymethyl)oxolane
CID 18618941
2-[2-Methoxy-1-(2-methoxyethoxy)ethyl]oxolane
CID 17882109
2-(Pentoxymethyl)oxolane
CID 19427165
3-[(2-Methylpropan-2-yl)oxy]oxolane
CID 20706589
2-(2,2-Dimethylpropoxymethyl)oxolane
CID 21060292
2-(Propoxymethyl)oxolane
CID 54182723

Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane?
The IUPAC name of 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane (CID 15721737) is 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane.
What is the SMILES notation for 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane?
The canonical SMILES for 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane is CC1(OCC2CCCO2)COCCOCCOCCOC1.
What is the InChIKey of 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane?
The InChIKey is DNSWIDAFYCJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-15(21-11-14-3-2-4-20-14)12-18-9-7-16-5-6-17-8-10-19-13-15/h14H,2-13H2,1H3.
What are the key properties of 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane?
12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane has a molecular weight of 304.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-(oxolan-2-ylmethoxy)-1,4,7,10-tetraoxacyclotridecane is sourced from PubChem (CID 15721737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).