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

C10H18O — CID 101060141

IUPAC(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
SMILESC[C@H]1C[C@H]2CCCC[C@@]2(O)C1
InChIInChI=1S/C10H18O/c1-8-6-9-4-2-3-5-10(9,11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyMBAPSJYZVBYTRW-IVZWLZJFSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds

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

(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol (PubChem CID 101060141) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
PubChem CID101060141
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
SMILESC[C@H]1C[C@H]2CCCC[C@@]2(O)C1
InChIInChI=1S/C10H18O/c1-8-6-9-4-2-3-5-10(9,11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyMBAPSJYZVBYTRW-IVZWLZJFSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol?
The IUPAC name of (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol (CID 101060141) is (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol.
What is the SMILES notation for (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol?
The canonical SMILES for (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol is C[C@H]1C[C@H]2CCCC[C@@]2(O)C1.
What is the InChIKey of (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol?
The InChIKey is MBAPSJYZVBYTRW-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18O/c1-8-6-9-4-2-3-5-10(9,11)7-8/h8-9,11H,2-7H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol?
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol is sourced from PubChem (CID 101060141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).