1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde

C11H20O2 — CID 115016765

IUPAC1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)OC1(C=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,3)13-11(9-12)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyFTUABKCSUFSGTJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde

1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde (PubChem CID 115016765) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
PubChem CID115016765
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)OC1(C=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,3)13-11(9-12)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyFTUABKCSUFSGTJ-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde (CID 115016765) is 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde is CC(C)(C)OC1(C=O)CCCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde?
The InChIKey is FTUABKCSUFSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,3)13-11(9-12)7-5-4-6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde?
1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 115016765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).