spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol

C13H14O — CID 588429

IUPACspiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol
SMILESOC1CC2c3ccccc3C1C21CC1
InChIInChI=1S/C13H14O/c14-11-7-10-8-3-1-2-4-9(8)12(11)13(10)5-6-13/h1-4,10-12,14H,5-7H2
InChIKeyMSHNQZDIAAFPOA-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.41
Rot. Bonds

About spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol

spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol (PubChem CID 588429) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol.

Molecular Properties

Compound Namespiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol
PubChem CID588429
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Namespiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol
SMILESOC1CC2c3ccccc3C1C21CC1
InChIInChI=1S/C13H14O/c14-11-7-10-8-3-1-2-4-9(8)12(11)13(10)5-6-13/h1-4,10-12,14H,5-7H2
InChIKeyMSHNQZDIAAFPOA-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol?
The IUPAC name of spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol (CID 588429) is spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol.
What is the SMILES notation for spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol?
The canonical SMILES for spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol is OC1CC2c3ccccc3C1C21CC1.
What is the InChIKey of spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol?
The InChIKey is MSHNQZDIAAFPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-11-7-10-8-3-1-2-4-9(8)12(11)13(10)5-6-13/h1-4,10-12,14H,5-7H2.
What are the key properties of spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol?
spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol has a molecular weight of 186.25 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopropane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]-9'-ol is sourced from PubChem (CID 588429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).