2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol

C21H36O5 — CID 58908096

IUPAC2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol
SMILESCC(CO)(COCC1CCC2(C)OC2C1)COCC1CCC2(C)OC2C1
InChIInChI=1S/C21H36O5/c1-19(12-22,13-23-10-15-4-6-20(2)17(8-15)25-20)14-24-11-16-5-7-21(3)18(9-16)26-21/h15-18,22H,4-14H2,1-3H3
InChIKeyUTJAWKJTBIVMQF-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.93
Rot. Bonds9

About 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol

2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol (PubChem CID 58908096) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol
PubChem CID58908096
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Name2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol
SMILESCC(CO)(COCC1CCC2(C)OC2C1)COCC1CCC2(C)OC2C1
InChIInChI=1S/C21H36O5/c1-19(12-22,13-23-10-15-4-6-20(2)17(8-15)25-20)14-24-11-16-5-7-21(3)18(9-16)26-21/h15-18,22H,4-14H2,1-3H3
InChIKeyUTJAWKJTBIVMQF-UHFFFAOYSA-N
XLogP2.93
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol 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

3,3'-[Oxybis(methylene)]bis(6-methyl-7-oxabicyclo[4.1.0]heptane)
CID 20158130
3-[2,2-Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 20662818
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-propoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 20743144
2-[2-[2-Hydroxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]-3-methoxypropoxy]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)ethanol
CID 22889668
3-[[2-Methyl-3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)-2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)propoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58519947
1-Methyl-4-[2-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethoxy]ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 58785451
4-[[2,2-Dimethyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propoxy]methyl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 58785462
1-Methyl-3-[6-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]hexoxy]-7-oxabicyclo[4.1.0]heptane
CID 58879062
1-Methyl-4-[5-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]pentoxy]-7-oxabicyclo[4.1.0]heptane
CID 58879076
1-Methyl-4-[3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 58908029
1-Methyl-4-[2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 58908062
1,3-Bis[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]propan-2-ol
CID 58908082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol (CID 58908096) is 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol is CC(CO)(COCC1CCC2(C)OC2C1)COCC1CCC2(C)OC2C1.
What is the InChIKey of 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol?
The InChIKey is UTJAWKJTBIVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5/c1-19(12-22,13-23-10-15-4-6-20(2)17(8-15)25-20)14-24-11-16-5-7-21(3)18(9-16)26-21/h15-18,22H,4-14H2,1-3H3.
What are the key properties of 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol?
2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol has a molecular weight of 368.51 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-2-[(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methoxymethyl]propan-1-ol is sourced from PubChem (CID 58908096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).