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

C14H20O — CID 91254774

IUPAC7-hexyl-5,6-dihydrocyclopenta[b]pyran
SMILESCCCCCCC1=C2OC=CC=C2CC1
InChIInChI=1S/C14H20O/c1-2-3-4-5-7-12-9-10-13-8-6-11-15-14(12)13/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyAIALUSGYUNEDEJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.47
Rot. Bonds5

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

7-hexyl-5,6-dihydrocyclopenta[b]pyran (PubChem CID 91254774) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 7-hexyl-5,6-dihydrocyclopenta[b]pyran.

Molecular Properties

Compound Name7-hexyl-5,6-dihydrocyclopenta[b]pyran
PubChem CID91254774
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name7-hexyl-5,6-dihydrocyclopenta[b]pyran
SMILESCCCCCCC1=C2OC=CC=C2CC1
InChIInChI=1S/C14H20O/c1-2-3-4-5-7-12-9-10-13-8-6-11-15-14(12)13/h6,8,11H,2-5,7,9-10H2,1H3
InChIKeyAIALUSGYUNEDEJ-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hexyl-5,6-dihydrocyclopenta[b]pyran?
The IUPAC name of 7-hexyl-5,6-dihydrocyclopenta[b]pyran (CID 91254774) is 7-hexyl-5,6-dihydrocyclopenta[b]pyran.
What is the SMILES notation for 7-hexyl-5,6-dihydrocyclopenta[b]pyran?
The canonical SMILES for 7-hexyl-5,6-dihydrocyclopenta[b]pyran is CCCCCCC1=C2OC=CC=C2CC1.
What is the InChIKey of 7-hexyl-5,6-dihydrocyclopenta[b]pyran?
The InChIKey is AIALUSGYUNEDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-5-7-12-9-10-13-8-6-11-15-14(12)13/h6,8,11H,2-5,7,9-10H2,1H3.
What are the key properties of 7-hexyl-5,6-dihydrocyclopenta[b]pyran?
7-hexyl-5,6-dihydrocyclopenta[b]pyran has a molecular weight of 204.31 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-5,6-dihydrocyclopenta[b]pyran is sourced from PubChem (CID 91254774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).