2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C13H20O2 — CID 142221490

IUPAC2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=CC[C@H](C)C[C@@H]1CC=CC(CC=O)O1
InChIInChI=1S/C13H20O2/c1-3-5-11(2)10-13-7-4-6-12(15-13)8-9-14/h3-4,6,9,11-13H,1,5,7-8,10H2,2H3/t11-,12?,13-/m0/s1
InChIKeyRXHMIYCYPNRVOG-RXTYADHFSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds6

About 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 142221490) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID142221490
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=CC[C@H](C)C[C@@H]1CC=CC(CC=O)O1
InChIInChI=1S/C13H20O2/c1-3-5-11(2)10-13-7-4-6-12(15-13)8-9-14/h3-4,6,9,11-13H,1,5,7-8,10H2,2H3/t11-,12?,13-/m0/s1
InChIKeyRXHMIYCYPNRVOG-RXTYADHFSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dimethyl-
CID 557211
rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
CID 6915682
(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 2755133
[(1S,6R)-6-formylcyclohex-2-en-1-yl] acetate
CID 11194556
1-[(1R, 2S)-2-Methoxycyclohex-3-en-1-yl]-propan-1-one
CID 57847649
[(1R,6S)-6-formylcyclohex-2-en-1-yl] acetate
CID 96009201
(1R,2S)-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 11062599
(1S,2S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11094814
(1R,2R,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12405308
(1R,2S)-2-methoxycyclohex-3-ene-1-carbaldehyde
CID 96006099
[(1S,5S,6R)-6-formyl-5-methylcyclohex-2-en-1-yl] acetate
CID 130873299
(1S,2S,4S,5R)-2,4-diethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134897836

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The IUPAC name of 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 142221490) is 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The canonical SMILES for 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is C=CC[C@H](C)C[C@@H]1CC=CC(CC=O)O1.
What is the InChIKey of 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is RXHMIYCYPNRVOG-RXTYADHFSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-11(2)10-13-7-4-6-12(15-13)8-9-14/h3-4,6,9,11-13H,1,5,7-8,10H2,2H3/t11-,12?,13-/m0/s1.
What are the key properties of 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 208.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 142221490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).