(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran

C8H14O — CID 134833489

IUPAC(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran
SMILESC[C@@H]1[C@H](C)OC=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4-8H,1-3H3/t6-,7-,8-/m0/s1
InChIKeyHUWOYERDLHTEID-FXQIFTODSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds

About (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran

(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran (PubChem CID 134833489) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran
PubChem CID134833489
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran
SMILESC[C@@H]1[C@H](C)OC=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4-8H,1-3H3/t6-,7-,8-/m0/s1
InChIKeyHUWOYERDLHTEID-FXQIFTODSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran (CID 134833489) is (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran is C[C@@H]1[C@H](C)OC=C[C@@H]1C.
What is the InChIKey of (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran?
The InChIKey is HUWOYERDLHTEID-FXQIFTODSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4-8H,1-3H3/t6-,7-,8-/m0/s1.
What are the key properties of (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran?
(2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2,3,4-trimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 134833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).