(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran

C8H14O — CID 59751064

IUPAC(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@@H](C)[C@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1
InChIKeyGLRNEOVLAPABSO-YUMQZZPRSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds

About (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran

(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran (PubChem CID 59751064) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran
PubChem CID59751064
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@@H](C)[C@H]1C
InChIInChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1
InChIKeyGLRNEOVLAPABSO-YUMQZZPRSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
(+-)-Nerol oxide
CID 61275
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
Rose oxide, trans-(+)-
CID 1712086
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
4-Chloro-6-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 44431629

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran (CID 59751064) is (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran is CC1=CCO[C@@H](C)[C@H]1C.
What is the InChIKey of (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran?
The InChIKey is GLRNEOVLAPABSO-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-5-9-8(3)7(6)2/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran?
(2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,4-trimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59751064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).