3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene

C11H16O2 — CID 70208330

IUPAC3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene
SMILESC1CCC2=C(C1)CC1CCOC1O2
InChIInChI=1S/C11H16O2/c1-2-4-10-8(3-1)7-9-5-6-12-11(9)13-10/h9,11H,1-7H2
InChIKeyZRWPPMQXXSOXKF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds

About 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene

3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene (PubChem CID 70208330) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene.

Molecular Properties

Compound Name3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene
PubChem CID70208330
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene
SMILESC1CCC2=C(C1)CC1CCOC1O2
InChIInChI=1S/C11H16O2/c1-2-4-10-8(3-1)7-9-5-6-12-11(9)13-10/h9,11H,1-7H2
InChIKeyZRWPPMQXXSOXKF-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene?
The IUPAC name of 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene (CID 70208330) is 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene.
What is the SMILES notation for 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene?
The canonical SMILES for 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene is C1CCC2=C(C1)CC1CCOC1O2.
What is the InChIKey of 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene?
The InChIKey is ZRWPPMQXXSOXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-4-10-8(3-1)7-9-5-6-12-11(9)13-10/h9,11H,1-7H2.
What are the key properties of 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene?
3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene has a molecular weight of 180.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene is sourced from PubChem (CID 70208330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).