(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

C11H18O — CID 164681574

IUPAC(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1=C[C@H](C)C2CCCCC2O1
InChIInChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7-8,10-11H,3-6H2,1-2H3/t8-,10?,11?/m0/s1
InChIKeyGGIJRRIQBPFUAT-PUSIOWJLSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds

About (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene

(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (PubChem CID 164681574) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
PubChem CID164681574
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene
SMILESCC1=C[C@H](C)C2CCCCC2O1
InChIInChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7-8,10-11H,3-6H2,1-2H3/t8-,10?,11?/m0/s1
InChIKeyGGIJRRIQBPFUAT-PUSIOWJLSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The IUPAC name of (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene (CID 164681574) is (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene.
What is the SMILES notation for (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The canonical SMILES for (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is CC1=C[C@H](C)C2CCCCC2O1.
What is the InChIKey of (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
The InChIKey is GGIJRRIQBPFUAT-PUSIOWJLSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7-8,10-11H,3-6H2,1-2H3/t8-,10?,11?/m0/s1.
What are the key properties of (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene?
(4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene has a molecular weight of 166.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-chromene is sourced from PubChem (CID 164681574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).