8a,9,9a,10a-tetrahydro-4aH-xanthene

C13H14O — CID 135038152

IUPAC8a,9,9a,10a-tetrahydro-4aH-xanthene
SMILESC1=CC2CC3C=CC=CC3OC2C=C1
InChIInChI=1S/C13H14O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,10-13H,9H2
InChIKeyXSBDAVMZIGOLQL-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.63
Rot. Bonds

About 8a,9,9a,10a-tetrahydro-4aH-xanthene

8a,9,9a,10a-tetrahydro-4aH-xanthene (PubChem CID 135038152) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 8a,9,9a,10a-tetrahydro-4aH-xanthene.

Molecular Properties

Compound Name8a,9,9a,10a-tetrahydro-4aH-xanthene
PubChem CID135038152
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name8a,9,9a,10a-tetrahydro-4aH-xanthene
SMILESC1=CC2CC3C=CC=CC3OC2C=C1
InChIInChI=1S/C13H14O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,10-13H,9H2
InChIKeyXSBDAVMZIGOLQL-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8a,9,9a,10a-tetrahydro-4aH-xanthene?
The IUPAC name of 8a,9,9a,10a-tetrahydro-4aH-xanthene (CID 135038152) is 8a,9,9a,10a-tetrahydro-4aH-xanthene.
What is the SMILES notation for 8a,9,9a,10a-tetrahydro-4aH-xanthene?
The canonical SMILES for 8a,9,9a,10a-tetrahydro-4aH-xanthene is C1=CC2CC3C=CC=CC3OC2C=C1.
What is the InChIKey of 8a,9,9a,10a-tetrahydro-4aH-xanthene?
The InChIKey is XSBDAVMZIGOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,10-13H,9H2.
What are the key properties of 8a,9,9a,10a-tetrahydro-4aH-xanthene?
8a,9,9a,10a-tetrahydro-4aH-xanthene has a molecular weight of 186.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a,9,9a,10a-tetrahydro-4aH-xanthene is sourced from PubChem (CID 135038152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).