(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran

C14H22O — CID 135036678

IUPAC(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran
SMILESC=C/C=C\C[C@@H]1C=CCO[C@@H]1CCCC
InChIInChI=1S/C14H22O/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,7-8,10,13-14H,1,4,6,9,11-12H2,2H3/b7-5-/t13-,14-/m1/s1
InChIKeyILMJGNTZTQUBAX-KMVAXQJASA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds6

About (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran

(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran (PubChem CID 135036678) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran
PubChem CID135036678
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran
SMILESC=C/C=C\C[C@@H]1C=CCO[C@@H]1CCCC
InChIInChI=1S/C14H22O/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,7-8,10,13-14H,1,4,6,9,11-12H2,2H3/b7-5-/t13-,14-/m1/s1
InChIKeyILMJGNTZTQUBAX-KMVAXQJASA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran (CID 135036678) is (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran is C=C/C=C\C[C@@H]1C=CCO[C@@H]1CCCC.
What is the InChIKey of (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran?
The InChIKey is ILMJGNTZTQUBAX-KMVAXQJASA-N. The full InChI is InChI=1S/C14H22O/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,7-8,10,13-14H,1,4,6,9,11-12H2,2H3/b7-5-/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran?
(2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran has a molecular weight of 206.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-butyl-3-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135036678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).