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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Related Compounds

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CID 173020633
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
CID 90904162
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
1,2,3,3a-tetrahydropentalene;ethane
CID 91210695
6-(3-bicyclo[3.1.0]hexanyl)bicyclo[3.2.0]hepta-1,3-diene
CID 163467711
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 173175959
7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene
CID 173020281
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
2-(3,3a-dihydro-2H-cyclopenta[b]pyrrol-1-yl)acetamide
CID 66875208
tricyclo[5.2.1.02,6]deca-2,4-dien-8-ol
CID 175470374

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).