propan-2-ylcyclodecapentaene

C13H16 — CID 123508933

IUPACpropan-2-ylcyclodecapentaene
SMILESCC(C)c1ccccccccc1
InChIInChI=1S/C13H16/c1-12(2)13-10-8-6-4-3-5-7-9-11-13/h3-12H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,13-10-,13-11+
InChIKeyLKWVGIKTPVSDKY-OOARJVDSSA-N
MW172.27 g/mol
LogP3.93
Rot. Bonds1

About propan-2-ylcyclodecapentaene

propan-2-ylcyclodecapentaene (PubChem CID 123508933) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is propan-2-ylcyclodecapentaene.

Molecular Properties

Compound Namepropan-2-ylcyclodecapentaene
PubChem CID123508933
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Namepropan-2-ylcyclodecapentaene
SMILESCC(C)c1ccccccccc1
InChIInChI=1S/C13H16/c1-12(2)13-10-8-6-4-3-5-7-9-11-13/h3-12H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,13-10-,13-11+
InChIKeyLKWVGIKTPVSDKY-OOARJVDSSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cumene;ethane;bis(2-methylpropane)
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CID 23094461

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclodecapentaene?
The IUPAC name of propan-2-ylcyclodecapentaene (CID 123508933) is propan-2-ylcyclodecapentaene.
What is the SMILES notation for propan-2-ylcyclodecapentaene?
The canonical SMILES for propan-2-ylcyclodecapentaene is CC(C)c1ccccccccc1.
What is the InChIKey of propan-2-ylcyclodecapentaene?
The InChIKey is LKWVGIKTPVSDKY-OOARJVDSSA-N. The full InChI is InChI=1S/C13H16/c1-12(2)13-10-8-6-4-3-5-7-9-11-13/h3-12H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,13-10-,13-11+.
What are the key properties of propan-2-ylcyclodecapentaene?
propan-2-ylcyclodecapentaene has a molecular weight of 172.27 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclodecapentaene is sourced from PubChem (CID 123508933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).