trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde

C8H12O2 — CID 93496108

IUPACtrans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
SMILESCC1(C)[C@H](C=O)C[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-8(2)6(4-9)3-7(8)5-10/h4-7H,3H2,1-2H3/t6-,7-/m0/s1
InChIKeyPWBRLHFTILTWCU-BQBZGAKWSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds2

About trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde

trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde (PubChem CID 93496108) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde.

Molecular Properties

Compound Nametrans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
PubChem CID93496108
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nametrans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
SMILESCC1(C)[C@H](C=O)C[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-8(2)6(4-9)3-7(8)5-10/h4-7H,3H2,1-2H3/t6-,7-/m0/s1
InChIKeyPWBRLHFTILTWCU-BQBZGAKWSA-N
XLogP1.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
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 trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde?
The IUPAC name of trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde (CID 93496108) is trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde.
What is the SMILES notation for trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde?
The canonical SMILES for trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde is CC1(C)[C@H](C=O)C[C@H]1C=O.
What is the InChIKey of trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde?
The InChIKey is PWBRLHFTILTWCU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)6(4-9)3-7(8)5-10/h4-7H,3H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde?
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde is sourced from PubChem (CID 93496108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).