1,2,3,3a-tetrahydropentalen-2-ol

C8H10O — CID 134858214

IUPAC1,2,3,3a-tetrahydropentalen-2-ol
SMILESOC1CC2=CC=CC2C1
InChIInChI=1S/C8H10O/c9-8-4-6-2-1-3-7(6)5-8/h1-3,6,8-9H,4-5H2
InChIKeyGPGHSTBUFPAXCN-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.25
Rot. Bonds

About 1,2,3,3a-tetrahydropentalen-2-ol

1,2,3,3a-tetrahydropentalen-2-ol (PubChem CID 134858214) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydropentalen-2-ol.

Molecular Properties

Compound Name1,2,3,3a-tetrahydropentalen-2-ol
PubChem CID134858214
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1,2,3,3a-tetrahydropentalen-2-ol
SMILESOC1CC2=CC=CC2C1
InChIInChI=1S/C8H10O/c9-8-4-6-2-1-3-7(6)5-8/h1-3,6,8-9H,4-5H2
InChIKeyGPGHSTBUFPAXCN-UHFFFAOYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.25
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-tetrahydropentalen-2-ol?
The IUPAC name of 1,2,3,3a-tetrahydropentalen-2-ol (CID 134858214) is 1,2,3,3a-tetrahydropentalen-2-ol.
What is the SMILES notation for 1,2,3,3a-tetrahydropentalen-2-ol?
The canonical SMILES for 1,2,3,3a-tetrahydropentalen-2-ol is OC1CC2=CC=CC2C1.
What is the InChIKey of 1,2,3,3a-tetrahydropentalen-2-ol?
The InChIKey is GPGHSTBUFPAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-8-4-6-2-1-3-7(6)5-8/h1-3,6,8-9H,4-5H2.
What are the key properties of 1,2,3,3a-tetrahydropentalen-2-ol?
1,2,3,3a-tetrahydropentalen-2-ol has a molecular weight of 122.17 g/mol, XLogP of 1.25, 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-tetrahydropentalen-2-ol is sourced from PubChem (CID 134858214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).