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

C17H28O2 — CID 59720722

IUPAC1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESCC12CC(C(C)(C)C3CCCC4(C)OC34)CCC1O2
InChIInChI=1S/C17H28O2/c1-15(2,11-7-8-13-17(4,10-11)18-13)12-6-5-9-16(3)14(12)19-16/h11-14H,5-10H2,1-4H3
InChIKeyWLOMRSIGXVEUAV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.93
Rot. Bonds2

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

1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720722) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID59720722
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESCC12CC(C(C)(C)C3CCCC4(C)OC34)CCC1O2
InChIInChI=1S/C17H28O2/c1-15(2,11-7-8-13-17(4,10-11)18-13)12-6-5-9-16(3)14(12)19-16/h11-14H,5-10H2,1-4H3
InChIKeyWLOMRSIGXVEUAV-UHFFFAOYSA-N
XLogP3.93
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (CID 59720722) is 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is CC12CC(C(C)(C)C3CCCC4(C)OC34)CCC1O2.
What is the InChIKey of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is WLOMRSIGXVEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-15(2,11-7-8-13-17(4,10-11)18-13)12-6-5-9-16(3)14(12)19-16/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 264.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).