(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol

C8H14O — CID 134865131

IUPAC(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
SMILESO[C@H]1CCC2CCCC21
InChIInChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2/t6?,7?,8-/m0/s1
InChIKeyAOONMBCPMGBOBG-RRQHEKLDSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol

(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol (PubChem CID 134865131) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol.

Molecular Properties

Compound Name(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
PubChem CID134865131
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
SMILESO[C@H]1CCC2CCCC21
InChIInChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2/t6?,7?,8-/m0/s1
InChIKeyAOONMBCPMGBOBG-RRQHEKLDSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The IUPAC name of (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol (CID 134865131) is (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol.
What is the SMILES notation for (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The canonical SMILES for (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol is O[C@H]1CCC2CCCC21.
What is the InChIKey of (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The InChIKey is AOONMBCPMGBOBG-RRQHEKLDSA-N. The full InChI is InChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2/t6?,7?,8-/m0/s1.
What are the key properties of (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
(1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol is sourced from PubChem (CID 134865131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).