(2R)-2-oct-7-enyloxirane-2-carbaldehyde

C11H18O2 — CID 124702562

IUPAC(2R)-2-oct-7-enyloxirane-2-carbaldehyde
SMILESC=CCCCCCC[C@]1(C=O)CO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h2,9H,1,3-8,10H2/t11-/m0/s1
InChIKeySWBLMFXRSUOPFE-NSHDSACASA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds8

About (2R)-2-oct-7-enyloxirane-2-carbaldehyde

(2R)-2-oct-7-enyloxirane-2-carbaldehyde (PubChem CID 124702562) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-2-oct-7-enyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-oct-7-enyloxirane-2-carbaldehyde
PubChem CID124702562
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-2-oct-7-enyloxirane-2-carbaldehyde
SMILESC=CCCCCCC[C@]1(C=O)CO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h2,9H,1,3-8,10H2/t11-/m0/s1
InChIKeySWBLMFXRSUOPFE-NSHDSACASA-N
XLogP2.48
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(3-But-3-enyl-3-methyloxiran-2-yl)-4-oxobutanal
CID 134893579
1-(3-But-3-enyl-3-methyloxiran-2-yl)pent-4-en-1-one
CID 15359266
1-Oxaspiro[2.15]octadec-12-en-4-one
CID 173630176
(2S)-2-oct-7-enyloxirane-2-carbaldehyde
CID 102261854
2-[(2S)-6-methylhept-6-en-2-yl]oxirane-2-carbaldehyde
CID 102277936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-oct-7-enyloxirane-2-carbaldehyde?
The IUPAC name of (2R)-2-oct-7-enyloxirane-2-carbaldehyde (CID 124702562) is (2R)-2-oct-7-enyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R)-2-oct-7-enyloxirane-2-carbaldehyde?
The canonical SMILES for (2R)-2-oct-7-enyloxirane-2-carbaldehyde is C=CCCCCCC[C@]1(C=O)CO1.
What is the InChIKey of (2R)-2-oct-7-enyloxirane-2-carbaldehyde?
The InChIKey is SWBLMFXRSUOPFE-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-11(9-12)10-13-11/h2,9H,1,3-8,10H2/t11-/m0/s1.
What are the key properties of (2R)-2-oct-7-enyloxirane-2-carbaldehyde?
(2R)-2-oct-7-enyloxirane-2-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-oct-7-enyloxirane-2-carbaldehyde is sourced from PubChem (CID 124702562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).