spiro[cyclohexane-1,9'-xanthene]

C18H18O — CID 12861604

IUPACspiro[cyclohexane-1,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21CCCCC1
InChIInChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2
InChIKeyIXHWJOFFTAICML-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.04
Rot. Bonds

About spiro[cyclohexane-1,9'-xanthene]

spiro[cyclohexane-1,9'-xanthene] (PubChem CID 12861604) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is spiro[cyclohexane-1,9'-xanthene].

Molecular Properties

Compound Namespiro[cyclohexane-1,9'-xanthene]
PubChem CID12861604
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Namespiro[cyclohexane-1,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21CCCCC1
InChIInChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2
InChIKeyIXHWJOFFTAICML-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclohexane-1,9'-xanthene]?
The IUPAC name of spiro[cyclohexane-1,9'-xanthene] (CID 12861604) is spiro[cyclohexane-1,9'-xanthene].
What is the SMILES notation for spiro[cyclohexane-1,9'-xanthene]?
The canonical SMILES for spiro[cyclohexane-1,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21CCCCC1.
What is the InChIKey of spiro[cyclohexane-1,9'-xanthene]?
The InChIKey is IXHWJOFFTAICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11H,1,6-7,12-13H2.
What are the key properties of spiro[cyclohexane-1,9'-xanthene]?
spiro[cyclohexane-1,9'-xanthene] has a molecular weight of 250.34 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclohexane-1,9'-xanthene] is sourced from PubChem (CID 12861604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).