7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran

C19H32O2 — CID 146477179

IUPAC7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran
SMILESC1CCC2OC(C3CCC4CCOCC4CC3)CCC2C1
InChIInChI=1S/C19H32O2/c1-2-4-18-15(3-1)9-10-19(21-18)16-6-5-14-11-12-20-13-17(14)8-7-16/h14-19H,1-13H2
InChIKeyVVLCZPOHFDQGIU-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.57
Rot. Bonds1

About 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran

7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran (PubChem CID 146477179) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran.

Molecular Properties

Compound Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran
PubChem CID146477179
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran
SMILESC1CCC2OC(C3CCC4CCOCC4CC3)CCC2C1
InChIInChI=1S/C19H32O2/c1-2-4-18-15(3-1)9-10-19(21-18)16-6-5-14-11-12-20-13-17(14)8-7-16/h14-19H,1-13H2
InChIKeyVVLCZPOHFDQGIU-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran?
The IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran (CID 146477179) is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran.
What is the SMILES notation for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran?
The canonical SMILES for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran is C1CCC2OC(C3CCC4CCOCC4CC3)CCC2C1.
What is the InChIKey of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran?
The InChIKey is VVLCZPOHFDQGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-4-18-15(3-1)9-10-19(21-18)16-6-5-14-11-12-20-13-17(14)8-7-16/h14-19H,1-13H2.
What are the key properties of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran?
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran has a molecular weight of 292.46 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl)-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyran is sourced from PubChem (CID 146477179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).