(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

C11H20O — CID 154525596

IUPAC(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESCC1CC[C@H]2C(O)CCCC12C
InChIInChI=1S/C11H20O/c1-8-5-6-9-10(12)4-3-7-11(8,9)2/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyMFNGRNJHBRHKKM-ZQOALKFFSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds

About (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (PubChem CID 154525596) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.

Molecular Properties

Compound Name(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
PubChem CID154525596
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
SMILESCC1CC[C@H]2C(O)CCCC12C
InChIInChI=1S/C11H20O/c1-8-5-6-9-10(12)4-3-7-11(8,9)2/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyMFNGRNJHBRHKKM-ZQOALKFFSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The IUPAC name of (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol (CID 154525596) is (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol.
What is the SMILES notation for (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The canonical SMILES for (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is CC1CC[C@H]2C(O)CCCC12C.
What is the InChIKey of (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
The InChIKey is MFNGRNJHBRHKKM-ZQOALKFFSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-9-10(12)4-3-7-11(8,9)2/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1.
What are the key properties of (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol?
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol is sourced from PubChem (CID 154525596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).