(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde

C10H16O2 — CID 11159553

IUPAC(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde
SMILESO=C[C@@H]1O[C@H]1CC1CCCCC1
InChIInChI=1S/C10H16O2/c11-7-10-9(12-10)6-8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m0/s1
InChIKeyYACKFFJUAWSLLE-UWVGGRQHSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds3

About (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde

(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde (PubChem CID 11159553) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde
PubChem CID11159553
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde
SMILESO=C[C@@H]1O[C@H]1CC1CCCCC1
InChIInChI=1S/C10H16O2/c11-7-10-9(12-10)6-8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m0/s1
InChIKeyYACKFFJUAWSLLE-UWVGGRQHSA-N
XLogP1.92
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexyl-2-ethoxyacetaldehyde
CID 105434553
3,7-Dimethyl-2,3-epoxyoctanal
CID 129789698
7-Oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 12629869
3-Cyclohexyloxirane-2-carbaldehyde
CID 72960721
3-Methyl-3-(4,8,12-trimethyltridecyl)oxirane-2-carbaldehyde
CID 15344155
5-Cyclohexyloxolan-3-one
CID 10654673
1-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethanone
CID 11412599
(1R,6S)-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 12629870
(2R,3S)-3-cyclohexyloxirane-2-carbaldehyde
CID 15453142
2-Cyclohexyl-2-methoxyacetaldehyde
CID 83826504
3-Cyclohexyl-2-methyloxirane-2-carbaldehyde
CID 85423734
(2R,3S)-3-hexyl-3-methyloxirane-2-carbaldehyde
CID 101145691

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde (CID 11159553) is (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde is O=C[C@@H]1O[C@H]1CC1CCCCC1.
What is the InChIKey of (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde?
The InChIKey is YACKFFJUAWSLLE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-10-9(12-10)6-8-4-2-1-3-5-8/h7-10H,1-6H2/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde?
(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde is sourced from PubChem (CID 11159553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).