2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

C8H12O — CID 12514041

IUPAC2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESC1COC2=C(C1)CCC2
InChIInChI=1S/C8H12O/c1-3-7-4-2-6-9-8(7)5-1/h1-6H2
InChIKeyBWRKNGQNYVJQBU-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.23
Rot. Bonds

About 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran

2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (PubChem CID 12514041) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
PubChem CID12514041
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
SMILESC1COC2=C(C1)CCC2
InChIInChI=1S/C8H12O/c1-3-7-4-2-6-9-8(7)5-1/h1-6H2
InChIKeyBWRKNGQNYVJQBU-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The IUPAC name of 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran (CID 12514041) is 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran.
What is the SMILES notation for 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The canonical SMILES for 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is C1COC2=C(C1)CCC2.
What is the InChIKey of 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
The InChIKey is BWRKNGQNYVJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-4-2-6-9-8(7)5-1/h1-6H2.
What are the key properties of 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran?
2,3,4,5,6,7-hexahydrocyclopenta[b]pyran has a molecular weight of 124.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydrocyclopenta[b]pyran is sourced from PubChem (CID 12514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).