2,3,4,8-tetrahydrocyclohepta[b]pyran

C10H12O — CID 130349834

IUPAC2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESC1=CCC=C2OCCCC2=C1
InChIInChI=1S/C10H12O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-2,5,7H,3-4,6,8H2
InChIKeyDSCGHXPLNHTQCT-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.57
Rot. Bonds

About 2,3,4,8-tetrahydrocyclohepta[b]pyran

2,3,4,8-tetrahydrocyclohepta[b]pyran (PubChem CID 130349834) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,3,4,8-tetrahydrocyclohepta[b]pyran.

Molecular Properties

Compound Name2,3,4,8-tetrahydrocyclohepta[b]pyran
PubChem CID130349834
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESC1=CCC=C2OCCCC2=C1
InChIInChI=1S/C10H12O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-2,5,7H,3-4,6,8H2
InChIKeyDSCGHXPLNHTQCT-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydrocyclohepta[b]pyran?
The IUPAC name of 2,3,4,8-tetrahydrocyclohepta[b]pyran (CID 130349834) is 2,3,4,8-tetrahydrocyclohepta[b]pyran.
What is the SMILES notation for 2,3,4,8-tetrahydrocyclohepta[b]pyran?
The canonical SMILES for 2,3,4,8-tetrahydrocyclohepta[b]pyran is C1=CCC=C2OCCCC2=C1.
What is the InChIKey of 2,3,4,8-tetrahydrocyclohepta[b]pyran?
The InChIKey is DSCGHXPLNHTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-2,5,7H,3-4,6,8H2.
What are the key properties of 2,3,4,8-tetrahydrocyclohepta[b]pyran?
2,3,4,8-tetrahydrocyclohepta[b]pyran has a molecular weight of 148.20 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydrocyclohepta[b]pyran is sourced from PubChem (CID 130349834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).