(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran

C13H20O — CID 11355996

IUPAC(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
SMILESC=C/C=C(\C)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C13H20O/c1-5-7-10(3)13-9-8-11(4)12(6-2)14-13/h5,7-8,12-13H,1,6,9H2,2-4H3/b10-7+/t12-,13-/m1/s1
InChIKeyFMVNNDDYCHVGIU-ILGUYDGLSA-N
MW192.30 g/mol
LogP3.63
Rot. Bonds3

About (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran

(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran (PubChem CID 11355996) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
PubChem CID11355996
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran
SMILESC=C/C=C(\C)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C13H20O/c1-5-7-10(3)13-9-8-11(4)12(6-2)14-13/h5,7-8,12-13H,1,6,9H2,2-4H3/b10-7+/t12-,13-/m1/s1
InChIKeyFMVNNDDYCHVGIU-ILGUYDGLSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.63
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'}

Analyze (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

(+-)-Nerol oxide
CID 61275
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
Quinceoxepine
CID 131752304
(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600448
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600447
1-Vinylbenzene-3,4-oxide
CID 3035209
2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)-
CID 5362835
1-Isopropoxy-2,7-octadiene
CID 11286698

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran (CID 11355996) is (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran is C=C/C=C(\C)[C@H]1CC=C(C)[C@@H](CC)O1.
What is the InChIKey of (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran?
The InChIKey is FMVNNDDYCHVGIU-ILGUYDGLSA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-10(3)13-9-8-11(4)12(6-2)14-13/h5,7-8,12-13H,1,6,9H2,2-4H3/b10-7+/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran?
(2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran has a molecular weight of 192.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-ethyl-5-methyl-2-[(2E)-penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11355996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).