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

C10H18O — CID 130831326

IUPAC[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
SMILESOC[C@@H]1CC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C10H18O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h8-11H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyNAHCUTDXYSEQDU-UTLUCORTSA-N
MW154.25 g/mol
LogP2.20
Rot. Bonds1

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

[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol (PubChem CID 130831326) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
PubChem CID130831326
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
SMILESOC[C@@H]1CC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C10H18O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h8-11H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyNAHCUTDXYSEQDU-UTLUCORTSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butan-1-ol
CID 89099037
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200
[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
CID 11401364
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene;1-(cyclohexylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 158442689
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol?
The IUPAC name of [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol (CID 130831326) is [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol.
What is the SMILES notation for [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol?
The canonical SMILES for [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol is OC[C@@H]1CC[C@H]2CCCC[C@@H]21.
What is the InChIKey of [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol?
The InChIKey is NAHCUTDXYSEQDU-UTLUCORTSA-N. The full InChI is InChI=1S/C10H18O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h8-11H,1-7H2/t8-,9+,10+/m1/s1.
What are the key properties of [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol?
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol has a molecular weight of 154.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol is sourced from PubChem (CID 130831326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).