5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran

C10H14O — CID 141043290

IUPAC5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran
SMILESC1=COC2CCCCCC2=C1
InChIInChI=1S/C10H14O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8,10H,1-3,5,7H2
InChIKeyLHMJHRLCCWHLKY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.79
Rot. Bonds

About 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran

5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran (PubChem CID 141043290) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran.

Molecular Properties

Compound Name5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran
PubChem CID141043290
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran
SMILESC1=COC2CCCCCC2=C1
InChIInChI=1S/C10H14O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8,10H,1-3,5,7H2
InChIKeyLHMJHRLCCWHLKY-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran?
The IUPAC name of 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran (CID 141043290) is 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran.
What is the SMILES notation for 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran?
The canonical SMILES for 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran is C1=COC2CCCCCC2=C1.
What is the InChIKey of 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran?
The InChIKey is LHMJHRLCCWHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8,10H,1-3,5,7H2.
What are the key properties of 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran?
5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran has a molecular weight of 150.22 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,9a-hexahydrocyclohepta[b]pyran is sourced from PubChem (CID 141043290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).