1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran

C8H14O — CID 22015303

IUPAC1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
SMILESC1CC2CCOCC2C1
InChIInChI=1S/C8H14O/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2
InChIKeyNDNVVBZJAUDNAX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

About 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran

1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran (PubChem CID 22015303) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran.

Molecular Properties

Compound Name1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
PubChem CID22015303
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran
SMILESC1CC2CCOCC2C1
InChIInChI=1S/C8H14O/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2
InChIKeyNDNVVBZJAUDNAX-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The IUPAC name of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran (CID 22015303) is 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran.
What is the SMILES notation for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The canonical SMILES for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran is C1CC2CCOCC2C1.
What is the InChIKey of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
The InChIKey is NDNVVBZJAUDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-4-5-9-6-8(7)3-1/h7-8H,1-6H2.
What are the key properties of 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran?
1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran is sourced from PubChem (CID 22015303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).