7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

C15H28O — CID 69133827

IUPAC7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESCCC(C)(C)C1CCC2C(O)CCCC21C
InChIInChI=1S/C15H28O/c1-5-14(2,3)13-9-8-11-12(16)7-6-10-15(11,13)4/h11-13,16H,5-10H2,1-4H3
InChIKeyHREKJXRLHRJUOX-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds2

About 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (PubChem CID 69133827) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.

Molecular Properties

Compound Name7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
PubChem CID69133827
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESCCC(C)(C)C1CCC2C(O)CCCC21C
InChIInChI=1S/C15H28O/c1-5-14(2,3)13-9-8-11-12(16)7-6-10-15(11,13)4/h11-13,16H,5-10H2,1-4H3
InChIKeyHREKJXRLHRJUOX-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The IUPAC name of 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (CID 69133827) is 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.
What is the SMILES notation for 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The canonical SMILES for 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is CCC(C)(C)C1CCC2C(O)CCCC21C.
What is the InChIKey of 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The InChIKey is HREKJXRLHRJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-14(2,3)13-9-8-11-12(16)7-6-10-15(11,13)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is sourced from PubChem (CID 69133827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).