9-propyltricyclo[5.2.1.02,6]decan-8-ol

C13H22O — CID 86123910

IUPAC9-propyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCCCC1C(O)C2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-2-4-10-11-7-12(13(10)14)9-6-3-5-8(9)11/h8-14H,2-7H2,1H3
InChIKeyYMRBZGUXCPLSHW-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.83
Rot. Bonds2

About 9-propyltricyclo[5.2.1.02,6]decan-8-ol

9-propyltricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 86123910) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-propyltricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name9-propyltricyclo[5.2.1.02,6]decan-8-ol
PubChem CID86123910
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name9-propyltricyclo[5.2.1.02,6]decan-8-ol
SMILESCCCC1C(O)C2CC1C1CCCC21
InChIInChI=1S/C13H22O/c1-2-4-10-11-7-12(13(10)14)9-6-3-5-8(9)11/h8-14H,2-7H2,1H3
InChIKeyYMRBZGUXCPLSHW-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-propyltricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 9-propyltricyclo[5.2.1.02,6]decan-8-ol (CID 86123910) is 9-propyltricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 9-propyltricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 9-propyltricyclo[5.2.1.02,6]decan-8-ol is CCCC1C(O)C2CC1C1CCCC21.
What is the InChIKey of 9-propyltricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is YMRBZGUXCPLSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-10-11-7-12(13(10)14)9-6-3-5-8(9)11/h8-14H,2-7H2,1H3.
What are the key properties of 9-propyltricyclo[5.2.1.02,6]decan-8-ol?
9-propyltricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 194.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyltricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 86123910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).