1-(oxan-2-yl)cyclobutane-1-carbaldehyde

C10H16O2 — CID 134690868

IUPAC1-(oxan-2-yl)cyclobutane-1-carbaldehyde
SMILESO=CC1(C2CCCCO2)CCC1
InChIInChI=1S/C10H16O2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h8-9H,1-7H2
InChIKeyKUINUQYYAOFCER-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds2

About 1-(oxan-2-yl)cyclobutane-1-carbaldehyde

1-(oxan-2-yl)cyclobutane-1-carbaldehyde (PubChem CID 134690868) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(oxan-2-yl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(oxan-2-yl)cyclobutane-1-carbaldehyde
PubChem CID134690868
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(oxan-2-yl)cyclobutane-1-carbaldehyde
SMILESO=CC1(C2CCCCO2)CCC1
InChIInChI=1S/C10H16O2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h8-9H,1-7H2
InChIKeyKUINUQYYAOFCER-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(oxan-2-yl)propanal
CID 84716620
1-(Oxan-2-yl)cyclopropane-1-carbaldehyde
CID 137949910
3,3-Dimethyl-1-(oxan-2-yl)butan-2-one
CID 12955156
3-Ethoxyspiro[3.6]decan-1-one
CID 21919562
3-Ethoxyspiro[3.5]nonan-1-one
CID 54595141
3,3-Dimethyl-1-(6-methyl-tetrahydropyran-2-yl)-butan-2-one
CID 567325
1-(3,3,6,6-Tetramethyloxan-2-yl)propan-2-one
CID 14492270
(2S,6R)-2-butyl-6-tert-butyl-2-methyloxan-4-one
CID 21676676
3-Cyclohexyl-3-methoxy-2,2-dimethylpropanal
CID 57780820
3-Methyl-3-(oxan-2-yl)butan-2-one
CID 58834321
2-(4,6-Dimethyloxan-2-yl)acetaldehyde
CID 59821309
3-Methoxy-6,6-dimethyloctanal
CID 87290943

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(oxan-2-yl)cyclobutane-1-carbaldehyde (CID 134690868) is 1-(oxan-2-yl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(oxan-2-yl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(oxan-2-yl)cyclobutane-1-carbaldehyde is O=CC1(C2CCCCO2)CCC1.
What is the InChIKey of 1-(oxan-2-yl)cyclobutane-1-carbaldehyde?
The InChIKey is KUINUQYYAOFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-10(5-3-6-10)9-4-1-2-7-12-9/h8-9H,1-7H2.
What are the key properties of 1-(oxan-2-yl)cyclobutane-1-carbaldehyde?
1-(oxan-2-yl)cyclobutane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 134690868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).