(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol

C12H22O — CID 159001079

IUPAC(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
SMILESCC[C@@H](O)C1C[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C12H22O/c1-2-12(13)11-7-9-5-3-4-6-10(9)8-11/h9-13H,2-8H2,1H3/t9-,10+,11?,12-/m1/s1
InChIKeyQPPQCPZEURTJCJ-AYLPWXGPSA-N
MW182.31 g/mol
LogP2.97
Rot. Bonds2

About (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol

(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol (PubChem CID 159001079) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
PubChem CID159001079
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
SMILESCC[C@@H](O)C1C[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C12H22O/c1-2-12(13)11-7-9-5-3-4-6-10(9)8-11/h9-13H,2-8H2,1H3/t9-,10+,11?,12-/m1/s1
InChIKeyQPPQCPZEURTJCJ-AYLPWXGPSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol with MolForge

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Related Compounds

Bicyclo(2.2.1)heptane-2-methanol, alpha,3,3-trimethyl-
CID 106672
Inhoffen Lythgoe diol
CID 11042078
(1R,3AR,4S,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-1H-inden-4-ol
CID 11097497
alpha-Methylbicyclo[2.2.1]heptane-2-methanol
CID 114493
octahydro-1H-inden-5-ol
CID 228142
beta-Methylbicyclo(2.2.1)heptane-2-propanol
CID 107019
(1R,4S,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ol
CID 44392831
[(1R,4R,7aR)-4,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]methanol
CID 73345215
2-[(1R,4S,7aR)-4,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethanol
CID 73346748
[(1R,4S,7aR)-4,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]methanol
CID 73349825
2-[(1R,4R,7aR)-4,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethanol
CID 73349826
2-[(1R,3aS,4S,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanol
CID 118730654

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol (CID 159001079) is (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol is CC[C@@H](O)C1C[C@H]2CCCC[C@H]2C1.
What is the InChIKey of (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol?
The InChIKey is QPPQCPZEURTJCJ-AYLPWXGPSA-N. The full InChI is InChI=1S/C12H22O/c1-2-12(13)11-7-9-5-3-4-6-10(9)8-11/h9-13H,2-8H2,1H3/t9-,10+,11?,12-/m1/s1.
What are the key properties of (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol?
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol is sourced from PubChem (CID 159001079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).