3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol

C8H12O2 — CID 10606820

IUPAC3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol
SMILESOC12CCC=C1OCCC2
InChIInChI=1S/C8H12O2/c9-8-4-1-3-7(8)10-6-2-5-8/h3,9H,1-2,4-6H2
InChIKeyKMSQHQIOWGMFBU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.21
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol

3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol (PubChem CID 10606820) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol
PubChem CID10606820
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol
SMILESOC12CCC=C1OCCC2
InChIInChI=1S/C8H12O2/c9-8-4-1-3-7(8)10-6-2-5-8/h3,9H,1-2,4-6H2
InChIKeyKMSQHQIOWGMFBU-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol?
The IUPAC name of 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol (CID 10606820) is 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol is OC12CCC=C1OCCC2.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol?
The InChIKey is KMSQHQIOWGMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8-4-1-3-7(8)10-6-2-5-8/h3,9H,1-2,4-6H2.
What are the key properties of 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol?
3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol has a molecular weight of 140.18 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-4a-ol is sourced from PubChem (CID 10606820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).