(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran

C11H18O — CID 155455525

IUPAC(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1O[C@H](C)[C@H](C)C=C1C
InChIInChI=1S/C11H18O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10-,11?/m1/s1
InChIKeyOJLOHDIJGDAGPG-TZIJJQLOSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds2

About (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran

(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 155455525) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID155455525
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1O[C@H](C)[C@H](C)C=C1C
InChIInChI=1S/C11H18O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10-,11?/m1/s1
InChIKeyOJLOHDIJGDAGPG-TZIJJQLOSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran (CID 155455525) is (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1O[C@H](C)[C@H](C)C=C1C.
What is the InChIKey of (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is OJLOHDIJGDAGPG-TZIJJQLOSA-N. The full InChI is InChI=1S/C11H18O/c1-5-6-11-9(3)7-8(2)10(4)12-11/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10-,11?/m1/s1.
What are the key properties of (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran?
(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 166.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 155455525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).