(2R)-2-octyloxirane-2-carbaldehyde

C11H20O2 — CID 135065142

IUPAC(2R)-2-octyloxirane-2-carbaldehyde
SMILESCCCCCCCC[C@]1(C=O)CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h9H,2-8,10H2,1H3/t11-/m0/s1
InChIKeyTUXHYRCCYAJDGJ-NSHDSACASA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds8

About (2R)-2-octyloxirane-2-carbaldehyde

(2R)-2-octyloxirane-2-carbaldehyde (PubChem CID 135065142) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-octyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-octyloxirane-2-carbaldehyde
PubChem CID135065142
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R)-2-octyloxirane-2-carbaldehyde
SMILESCCCCCCCC[C@]1(C=O)CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h9H,2-8,10H2,1H3/t11-/m0/s1
InChIKeyTUXHYRCCYAJDGJ-NSHDSACASA-N
XLogP2.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
(2S)-2-ethenyl-2-hexadecyloxirane
CID 11358364
2-hexadecyl-2-tetradecyloxirane
CID 71421731
3-decyldioxirane-3-carbaldehyde
CID 18461951
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
1-(2-pentyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
CID 22042318
2-methyl-2-pentyloxirane
CID 559073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-octyloxirane-2-carbaldehyde?
The IUPAC name of (2R)-2-octyloxirane-2-carbaldehyde (CID 135065142) is (2R)-2-octyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R)-2-octyloxirane-2-carbaldehyde?
The canonical SMILES for (2R)-2-octyloxirane-2-carbaldehyde is CCCCCCCC[C@]1(C=O)CO1.
What is the InChIKey of (2R)-2-octyloxirane-2-carbaldehyde?
The InChIKey is TUXHYRCCYAJDGJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h9H,2-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-octyloxirane-2-carbaldehyde?
(2R)-2-octyloxirane-2-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-octyloxirane-2-carbaldehyde is sourced from PubChem (CID 135065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).