spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]

C13H18 — CID 59742037

IUPACspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]
SMILESC1=CC2(C=C1)CC1CCCCC1C2
InChIInChI=1S/C13H18/c1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyQSNWGLNTERIJLP-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.70
Rot. Bonds

About spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]

spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene] (PubChem CID 59742037) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene].

Molecular Properties

Compound Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]
PubChem CID59742037
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namespiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]
SMILESC1=CC2(C=C1)CC1CCCCC1C2
InChIInChI=1S/C13H18/c1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyQSNWGLNTERIJLP-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]?
The IUPAC name of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene] (CID 59742037) is spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene].
What is the SMILES notation for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]?
The canonical SMILES for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene] is C1=CC2(C=C1)CC1CCCCC1C2.
What is the InChIKey of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]?
The InChIKey is QSNWGLNTERIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1/h3-4,7-8,11-12H,1-2,5-6,9-10H2.
What are the key properties of spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]?
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene] has a molecular weight of 174.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene] is sourced from PubChem (CID 59742037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).