(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene

C12H18O — CID 89190772

IUPAC(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCCC1C=CC2=C(CCCO2)[C@@H]1C
InChIInChI=1S/C12H18O/c1-3-10-6-7-12-11(9(10)2)5-4-8-13-12/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyNEYUNCOFLNURHD-YHMJZVADSA-N
MW178.27 g/mol
LogP3.28
Rot. Bonds1

About (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene

(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 89190772) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene
PubChem CID89190772
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene
SMILESCCC1C=CC2=C(CCCO2)[C@@H]1C
InChIInChI=1S/C12H18O/c1-3-10-6-7-12-11(9(10)2)5-4-8-13-12/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyNEYUNCOFLNURHD-YHMJZVADSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene (CID 89190772) is (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene is CCC1C=CC2=C(CCCO2)[C@@H]1C.
What is the InChIKey of (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is NEYUNCOFLNURHD-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18O/c1-3-10-6-7-12-11(9(10)2)5-4-8-13-12/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene?
(5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 178.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 89190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).