(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene

C13H22O — CID 170667989

IUPAC(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene
SMILESCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)O1
InChIInChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyROBYDSVSLUQANR-YPMHNXCESA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds

About (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene

(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene (PubChem CID 170667989) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene.

Molecular Properties

Compound Name(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene
PubChem CID170667989
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene
SMILESCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)O1
InChIInChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyROBYDSVSLUQANR-YPMHNXCESA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene?
The IUPAC name of (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene (CID 170667989) is (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene.
What is the SMILES notation for (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene?
The canonical SMILES for (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene is CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)O1.
What is the InChIKey of (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene?
The InChIKey is ROBYDSVSLUQANR-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene?
(4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene has a molecular weight of 194.32 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromene is sourced from PubChem (CID 170667989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).