2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene

C13H24O — CID 602183

IUPAC2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
SMILESCC1CCC2C(C)(C)CCCC2(C)O1
InChIInChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3
InChIKeyDMDUUBPBJUFSCD-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.77
Rot. Bonds

About 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene

2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene (PubChem CID 602183) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene.

Molecular Properties

Compound Name2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
PubChem CID602183
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
SMILESCC1CCC2C(C)(C)CCCC2(C)O1
InChIInChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3
InChIKeyDMDUUBPBJUFSCD-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The IUPAC name of 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene (CID 602183) is 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene.
What is the SMILES notation for 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The canonical SMILES for 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene is CC1CCC2C(C)(C)CCCC2(C)O1.
What is the InChIKey of 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
The InChIKey is DMDUUBPBJUFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene?
2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene has a molecular weight of 196.33 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene is sourced from PubChem (CID 602183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).