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

C10H16O — CID 11423697

IUPACtrans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m1/s1
InChIKeyNMVQWJGYOHLDFK-NXEZZACHSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

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

trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde (PubChem CID 11423697) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde
PubChem CID11423697
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nametrans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C10H16O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m1/s1
InChIKeyNMVQWJGYOHLDFK-NXEZZACHSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
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-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde (CID 11423697) is trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde is O=C[C@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde?
The InChIKey is NMVQWJGYOHLDFK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m1/s1.
What are the key properties of trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde?
trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-cyclohexylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 11423697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).