9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene

C19H28O — CID 13310304

IUPAC9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene
SMILESC1CCC(C2C3=C(CCCC3)OC3=C2CCCC3)CC1
InChIInChI=1S/C19H28O/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h14,19H,1-13H2
InChIKeyPFFASKGNQSNEEB-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.87
Rot. Bonds1

About 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene

9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene (PubChem CID 13310304) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene.

Molecular Properties

Compound Name9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene
PubChem CID13310304
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene
SMILESC1CCC(C2C3=C(CCCC3)OC3=C2CCCC3)CC1
InChIInChI=1S/C19H28O/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h14,19H,1-13H2
InChIKeyPFFASKGNQSNEEB-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 98532966
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CID 175081265
cyclononylcycloicosane
CID 123187062
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CID 58427678
cyclohexylcycloheptane
CID 524589
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1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene?
The IUPAC name of 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene (CID 13310304) is 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene.
What is the SMILES notation for 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene?
The canonical SMILES for 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene is C1CCC(C2C3=C(CCCC3)OC3=C2CCCC3)CC1.
What is the InChIKey of 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene?
The InChIKey is PFFASKGNQSNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h14,19H,1-13H2.
What are the key properties of 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene?
9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene has a molecular weight of 272.43 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene is sourced from PubChem (CID 13310304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).