trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde

C6H10O — CID 15447291

IUPACtrans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde
SMILESC[C@H]1CC[C@H]1C=O
InChIInChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyUUZLIVUPHVEWFI-WDSKDSINSA-N
MW98.14 g/mol
LogP1.23
Rot. Bonds1

About trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde

trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde (PubChem CID 15447291) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde
PubChem CID15447291
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Nametrans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde
SMILESC[C@H]1CC[C@H]1C=O
InChIInChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h4-6H,2-3H2,1H3/t5-,6-/m0/s1
InChIKeyUUZLIVUPHVEWFI-WDSKDSINSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde?
The IUPAC name of trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde (CID 15447291) is trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde is C[C@H]1CC[C@H]1C=O.
What is the InChIKey of trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde?
The InChIKey is UUZLIVUPHVEWFI-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h4-6H,2-3H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde?
trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde has a molecular weight of 98.14 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-methylcyclobutane-1-carbaldehyde is sourced from PubChem (CID 15447291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).