7-butyl-5,6-dihydrocyclopenta[b]pyran

C12H16O — CID 90716003

IUPAC7-butyl-5,6-dihydrocyclopenta[b]pyran
SMILESCCCCC1=C2OC=CC=C2CC1
InChIInChI=1S/C12H16O/c1-2-3-5-10-7-8-11-6-4-9-13-12(10)11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyAMEDOLMXLHHLEI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.69
Rot. Bonds3

About 7-butyl-5,6-dihydrocyclopenta[b]pyran

7-butyl-5,6-dihydrocyclopenta[b]pyran (PubChem CID 90716003) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-butyl-5,6-dihydrocyclopenta[b]pyran.

Molecular Properties

Compound Name7-butyl-5,6-dihydrocyclopenta[b]pyran
PubChem CID90716003
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name7-butyl-5,6-dihydrocyclopenta[b]pyran
SMILESCCCCC1=C2OC=CC=C2CC1
InChIInChI=1S/C12H16O/c1-2-3-5-10-7-8-11-6-4-9-13-12(10)11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyAMEDOLMXLHHLEI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-5,6-dihydrocyclopenta[b]pyran?
The IUPAC name of 7-butyl-5,6-dihydrocyclopenta[b]pyran (CID 90716003) is 7-butyl-5,6-dihydrocyclopenta[b]pyran.
What is the SMILES notation for 7-butyl-5,6-dihydrocyclopenta[b]pyran?
The canonical SMILES for 7-butyl-5,6-dihydrocyclopenta[b]pyran is CCCCC1=C2OC=CC=C2CC1.
What is the InChIKey of 7-butyl-5,6-dihydrocyclopenta[b]pyran?
The InChIKey is AMEDOLMXLHHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-5-10-7-8-11-6-4-9-13-12(10)11/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 7-butyl-5,6-dihydrocyclopenta[b]pyran?
7-butyl-5,6-dihydrocyclopenta[b]pyran has a molecular weight of 176.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5,6-dihydrocyclopenta[b]pyran is sourced from PubChem (CID 90716003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).