1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol

C8H14O — CID 549090

IUPAC1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
SMILESOC1CCC2CCCC12
InChIInChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2
InChIKeyAOONMBCPMGBOBG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

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

1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol (PubChem CID 549090) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
PubChem CID549090
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
SMILESOC1CCC2CCCC12
InChIInChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2
InChIKeyAOONMBCPMGBOBG-UHFFFAOYSA-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 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol (CID 549090) is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol is OC1CCC2CCCC12.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
The InChIKey is AOONMBCPMGBOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c9-8-5-4-6-2-1-3-7(6)8/h6-9H,1-5H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol?
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 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol is sourced from PubChem (CID 549090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).