(4S)-4-ethyl-4-methyl-2,3-dihydropyran

C8H14O — CID 143018886

IUPAC(4S)-4-ethyl-4-methyl-2,3-dihydropyran
SMILESCC[C@]1(C)C=COCC1
InChIInChI=1S/C8H14O/c1-3-8(2)4-6-9-7-5-8/h4,6H,3,5,7H2,1-2H3/t8-/m1/s1
InChIKeyRRDPASWSAMVYPL-MRVPVSSYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About (4S)-4-ethyl-4-methyl-2,3-dihydropyran

(4S)-4-ethyl-4-methyl-2,3-dihydropyran (PubChem CID 143018886) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4S)-4-ethyl-4-methyl-2,3-dihydropyran.

Molecular Properties

Compound Name(4S)-4-ethyl-4-methyl-2,3-dihydropyran
PubChem CID143018886
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4S)-4-ethyl-4-methyl-2,3-dihydropyran
SMILESCC[C@]1(C)C=COCC1
InChIInChI=1S/C8H14O/c1-3-8(2)4-6-9-7-5-8/h4,6H,3,5,7H2,1-2H3/t8-/m1/s1
InChIKeyRRDPASWSAMVYPL-MRVPVSSYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-4-methyl-2,3-dihydropyran?
The IUPAC name of (4S)-4-ethyl-4-methyl-2,3-dihydropyran (CID 143018886) is (4S)-4-ethyl-4-methyl-2,3-dihydropyran.
What is the SMILES notation for (4S)-4-ethyl-4-methyl-2,3-dihydropyran?
The canonical SMILES for (4S)-4-ethyl-4-methyl-2,3-dihydropyran is CC[C@]1(C)C=COCC1.
What is the InChIKey of (4S)-4-ethyl-4-methyl-2,3-dihydropyran?
The InChIKey is RRDPASWSAMVYPL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8(2)4-6-9-7-5-8/h4,6H,3,5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-4-ethyl-4-methyl-2,3-dihydropyran?
(4S)-4-ethyl-4-methyl-2,3-dihydropyran has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-4-methyl-2,3-dihydropyran is sourced from PubChem (CID 143018886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).