1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene

C14H16O — CID 69204463

IUPAC1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene
SMILESC1=CCC2COC3=CC=CCC3C2C=C1
InChIInChI=1S/C14H16O/c1-2-6-11-10-15-14-9-5-4-8-13(14)12(11)7-3-1/h1-5,7,9,11-13H,6,8,10H2
InChIKeyLITJYLNONISUFS-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.23
Rot. Bonds

About 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene

1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene (PubChem CID 69204463) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene.

Molecular Properties

Compound Name1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene
PubChem CID69204463
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene
SMILESC1=CCC2COC3=CC=CCC3C2C=C1
InChIInChI=1S/C14H16O/c1-2-6-11-10-15-14-9-5-4-8-13(14)12(11)7-3-1/h1-5,7,9,11-13H,6,8,10H2
InChIKeyLITJYLNONISUFS-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene?
The IUPAC name of 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene (CID 69204463) is 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene.
What is the SMILES notation for 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene?
The canonical SMILES for 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene is C1=CCC2COC3=CC=CCC3C2C=C1.
What is the InChIKey of 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene?
The InChIKey is LITJYLNONISUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-6-11-10-15-14-9-5-4-8-13(14)12(11)7-3-1/h1-5,7,9,11-13H,6,8,10H2.
What are the key properties of 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene?
1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene has a molecular weight of 200.28 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6a,7,11a,11b-hexahydrocyclohepta[c]chromene is sourced from PubChem (CID 69204463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).