(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran

C9H16O — CID 58859623

IUPAC(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=C[C@@H](C)[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyPSAAZYPFGIMEMJ-ZAZKALAHSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds1

About (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran

(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 58859623) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
PubChem CID58859623
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC1OC=C[C@@H](C)[C@H]1C
InChIInChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyPSAAZYPFGIMEMJ-ZAZKALAHSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran (CID 58859623) is (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is CCC1OC=C[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is PSAAZYPFGIMEMJ-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9-8(3)7(2)5-6-10-9/h5-9H,4H2,1-3H3/t7-,8-,9?/m1/s1.
What are the key properties of (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran?
(3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 58859623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).