cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde

C8H12O2 — CID 22797652

IUPACcis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde
SMILESCC1(C)[C@@H](C=O)[C@@]1(C)C=O
InChIInChI=1S/C8H12O2/c1-7(2)6(4-9)8(7,3)5-10/h4-6H,1-3H3/t6-,8-/m1/s1
InChIKeyRAOIZGHPOTYTGJ-HTRCEHHLSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds2

About cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde

cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde (PubChem CID 22797652) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde
PubChem CID22797652
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde
SMILESCC1(C)[C@@H](C=O)[C@@]1(C)C=O
InChIInChI=1S/C8H12O2/c1-7(2)6(4-9)8(7,3)5-10/h4-6H,1-3H3/t6-,8-/m1/s1
InChIKeyRAOIZGHPOTYTGJ-HTRCEHHLSA-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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Related Compounds

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(2R)-3,3-dimethyloxirane-2-carbaldehyde
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3,3-dimethylaziridine-2-carbaldehyde
CID 143355419
3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide
CID 54229356
2,3-dibromo-2,6,6-trimethylcyclohexane-1-carbaldehyde
CID 10924994
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
3,3,4,4,5-pentamethyloxolane-2-carbaldehyde
CID 20584498
2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
trans-(1R,3R)-2,2-dimethylcyclobutane-1,3-dicarbaldehyde
CID 93496108

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde?
The IUPAC name of cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde (CID 22797652) is cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde.
What is the SMILES notation for cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde?
The canonical SMILES for cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde is CC1(C)[C@@H](C=O)[C@@]1(C)C=O.
What is the InChIKey of cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde?
The InChIKey is RAOIZGHPOTYTGJ-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(2)6(4-9)8(7,3)5-10/h4-6H,1-3H3/t6-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde?
cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-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 cis-(1R,2R)-1,3,3-trimethylcyclopropane-1,2-dicarbaldehyde is sourced from PubChem (CID 22797652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).