1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane

C10H16O2 — CID 536087

IUPAC1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane
SMILESCC(C)C12CC3OC3(C)CC1O2
InChIInChI=1S/C10H16O2/c1-6(2)10-5-7-9(3,11-7)4-8(10)12-10/h6-8H,4-5H2,1-3H3
InChIKeyOMOHWPSXOIJOKA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.73
Rot. Bonds1

About 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane

1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane (PubChem CID 536087) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane
PubChem CID536087
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane
SMILESCC(C)C12CC3OC3(C)CC1O2
InChIInChI=1S/C10H16O2/c1-6(2)10-5-7-9(3,11-7)4-8(10)12-10/h6-8H,4-5H2,1-3H3
InChIKeyOMOHWPSXOIJOKA-UHFFFAOYSA-N
XLogP1.73
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.73
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-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane?
The IUPAC name of 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane (CID 536087) is 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane.
What is the SMILES notation for 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane?
The canonical SMILES for 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane is CC(C)C12CC3OC3(C)CC1O2.
What is the InChIKey of 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane?
The InChIKey is OMOHWPSXOIJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)10-5-7-9(3,11-7)4-8(10)12-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane?
1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane has a molecular weight of 168.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-4,8-dioxatricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 536087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).