5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde

C10H16O2 — CID 580362

IUPAC5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde
SMILESCC(C)C1CCC2(C)OC12C=O
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-9(3)10(8,6-11)12-9/h6-8H,4-5H2,1-3H3
InChIKeyIQSQBSBYVIWXMT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde

5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde (PubChem CID 580362) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde
PubChem CID580362
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde
SMILESCC(C)C1CCC2(C)OC12C=O
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-9(3)10(8,6-11)12-9/h6-8H,4-5H2,1-3H3
InChIKeyIQSQBSBYVIWXMT-UHFFFAOYSA-N
XLogP1.78
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde?
The IUPAC name of 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde (CID 580362) is 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde is CC(C)C1CCC2(C)OC12C=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde?
The InChIKey is IQSQBSBYVIWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-4-5-9(3)10(8,6-11)12-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde?
5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde is sourced from PubChem (CID 580362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).