(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane

C17H20O — CID 163189087

IUPAC(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
SMILESC=CCCCC[C@H]1O[C@@H]1/C=C/C#CC#C/C=C/C
InChIInChI=1S/C17H20O/c1-3-5-7-9-10-11-13-15-17-16(18-17)14-12-8-6-4-2/h3-5,13,15-17H,2,6,8,12,14H2,1H3/b5-3+,15-13+/t16-,17-/m1/s1
InChIKeyGRIRFVRSWUHHTQ-YZDWNGRYSA-N
MW240.35 g/mol
LogP3.64
Rot. Bonds6

About (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane

(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane (PubChem CID 163189087) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane.

Molecular Properties

Compound Name(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
PubChem CID163189087
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
SMILESC=CCCCC[C@H]1O[C@@H]1/C=C/C#CC#C/C=C/C
InChIInChI=1S/C17H20O/c1-3-5-7-9-10-11-13-15-17-16(18-17)14-12-8-6-4-2/h3-5,13,15-17H,2,6,8,12,14H2,1H3/b5-3+,15-13+/t16-,17-/m1/s1
InChIKeyGRIRFVRSWUHHTQ-YZDWNGRYSA-N
XLogP3.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane?
The IUPAC name of (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane (CID 163189087) is (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane.
What is the SMILES notation for (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane?
The canonical SMILES for (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane is C=CCCCC[C@H]1O[C@@H]1/C=C/C#CC#C/C=C/C.
What is the InChIKey of (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane?
The InChIKey is GRIRFVRSWUHHTQ-YZDWNGRYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-5-7-9-10-11-13-15-17-16(18-17)14-12-8-6-4-2/h3-5,13,15-17H,2,6,8,12,14H2,1H3/b5-3+,15-13+/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane?
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane has a molecular weight of 240.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane is sourced from PubChem (CID 163189087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).