8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one

C18H32O2 — CID 85178085

IUPAC8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one
SMILESCCCCCCCCC1C2CCCCCC(C2=O)C1O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-8-11-14-15-12-9-7-10-13-16(17(14)19)18(15)20/h14-17,19H,2-13H2,1H3
InChIKeyZDOQUQRSMIETRR-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.49
Rot. Bonds7

About 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one

8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one (PubChem CID 85178085) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one.

Molecular Properties

Compound Name8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one
PubChem CID85178085
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one
SMILESCCCCCCCCC1C2CCCCCC(C2=O)C1O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-8-11-14-15-12-9-7-10-13-16(17(14)19)18(15)20/h14-17,19H,2-13H2,1H3
InChIKeyZDOQUQRSMIETRR-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 163304158
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CID 21490531
2-nonylcyclododecan-1-one
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tetradecylcycloundecane
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docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
2-octylcyclohexane-1,3-dione
CID 102322610
8-octyloxocan-2-one
CID 90108064
3-heptyl-2-methyl-1-azabicyclo[2.2.1]heptan-7-one
CID 140524410

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one?
The IUPAC name of 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one (CID 85178085) is 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one.
What is the SMILES notation for 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one?
The canonical SMILES for 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one is CCCCCCCCC1C2CCCCCC(C2=O)C1O.
What is the InChIKey of 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one?
The InChIKey is ZDOQUQRSMIETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-8-11-14-15-12-9-7-10-13-16(17(14)19)18(15)20/h14-17,19H,2-13H2,1H3.
What are the key properties of 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one?
8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one has a molecular weight of 280.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-octylbicyclo[5.2.1]decan-10-one is sourced from PubChem (CID 85178085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).