7,8-dihydro-6H-pentaleno[1,2-b]pyran

C11H10O — CID 70105470

IUPAC7,8-dihydro-6H-pentaleno[1,2-b]pyran
SMILESc1coc2c3c(cc-2c1)CCC3
InChIInChI=1S/C11H10O/c1-3-8-7-9-4-2-6-12-11(9)10(8)5-1/h2,4,6-7H,1,3,5H2
InChIKeyZZQREDGFEHKPOV-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.87
Rot. Bonds

About 7,8-dihydro-6H-pentaleno[1,2-b]pyran

7,8-dihydro-6H-pentaleno[1,2-b]pyran (PubChem CID 70105470) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 7,8-dihydro-6H-pentaleno[1,2-b]pyran.

Molecular Properties

Compound Name7,8-dihydro-6H-pentaleno[1,2-b]pyran
PubChem CID70105470
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name7,8-dihydro-6H-pentaleno[1,2-b]pyran
SMILESc1coc2c3c(cc-2c1)CCC3
InChIInChI=1S/C11H10O/c1-3-8-7-9-4-2-6-12-11(9)10(8)5-1/h2,4,6-7H,1,3,5H2
InChIKeyZZQREDGFEHKPOV-UHFFFAOYSA-N
XLogP2.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-pentaleno[1,2-b]pyran?
The IUPAC name of 7,8-dihydro-6H-pentaleno[1,2-b]pyran (CID 70105470) is 7,8-dihydro-6H-pentaleno[1,2-b]pyran.
What is the SMILES notation for 7,8-dihydro-6H-pentaleno[1,2-b]pyran?
The canonical SMILES for 7,8-dihydro-6H-pentaleno[1,2-b]pyran is c1coc2c3c(cc-2c1)CCC3.
What is the InChIKey of 7,8-dihydro-6H-pentaleno[1,2-b]pyran?
The InChIKey is ZZQREDGFEHKPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-3-8-7-9-4-2-6-12-11(9)10(8)5-1/h2,4,6-7H,1,3,5H2.
What are the key properties of 7,8-dihydro-6H-pentaleno[1,2-b]pyran?
7,8-dihydro-6H-pentaleno[1,2-b]pyran has a molecular weight of 158.20 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-pentaleno[1,2-b]pyran is sourced from PubChem (CID 70105470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).