trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde

C11H20O — CID 125425586

IUPACtrans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde
SMILESCCC(CC)(CC)[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C11H20O/c1-4-11(5-2,6-3)10-7-9(10)8-12/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyKYOFMXJVJGAKPA-NXEZZACHSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds5

About trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde

trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde (PubChem CID 125425586) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde
PubChem CID125425586
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nametrans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde
SMILESCCC(CC)(CC)[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C11H20O/c1-4-11(5-2,6-3)10-7-9(10)8-12/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyKYOFMXJVJGAKPA-NXEZZACHSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2R)-2-(2-methylsulfonylpropan-2-yl)cyclopropane-1-carbaldehyde
CID 125425514
trans-(1R,2S)-2-(2-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carbaldehyde
CID 125425363
cis-(1R,2S)-2-ethylsulfonylcyclopropane-1-carbaldehyde
CID 99990748
5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde
CID 122463235
(1S,2S,5S)-5-methyl-2-(2-methyl-1-oxopropan-2-yl)cyclohexane-1-carbaldehyde
CID 140649409
2-tert-butylcyclobutane-1-carbaldehyde
CID 123563535
cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
CID 125425466
2-ethoxy-5-methylcyclohex-3-ene-1-carbaldehyde
CID 71400491
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde
CID 11804942
cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
CID 125475013
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde (CID 125425586) is trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde is CCC(CC)(CC)[C@@H]1C[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde?
The InChIKey is KYOFMXJVJGAKPA-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O/c1-4-11(5-2,6-3)10-7-9(10)8-12/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde?
trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde has a molecular weight of 168.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 125425586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).