9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene

C15H18 — CID 177218837

IUPAC9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene
SMILESCC(C)C1=Cc2ccccc2C2CC1C2
InChIInChI=1S/C15H18/c1-10(2)15-9-11-5-3-4-6-14(11)12-7-13(15)8-12/h3-6,9-10,12-13H,7-8H2,1-2H3
InChIKeyQMSATZZZJYWYCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.23
Rot. Bonds1

About 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene

9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene (PubChem CID 177218837) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene
PubChem CID177218837
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene
SMILESCC(C)C1=Cc2ccccc2C2CC1C2
InChIInChI=1S/C15H18/c1-10(2)15-9-11-5-3-4-6-14(11)12-7-13(15)8-12/h3-6,9-10,12-13H,7-8H2,1-2H3
InChIKeyQMSATZZZJYWYCK-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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bis(2-methyl-1H-inden-1-yl)silane
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tetrakis(2-methyl-1H-inden-1-yl)silane
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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene?
The IUPAC name of 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene (CID 177218837) is 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene.
What is the SMILES notation for 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene?
The canonical SMILES for 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene is CC(C)C1=Cc2ccccc2C2CC1C2.
What is the InChIKey of 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene?
The InChIKey is QMSATZZZJYWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-10(2)15-9-11-5-3-4-6-14(11)12-7-13(15)8-12/h3-6,9-10,12-13H,7-8H2,1-2H3.
What are the key properties of 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene?
9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene has a molecular weight of 198.31 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yltricyclo[8.1.1.02,7]dodeca-2,4,6,8-tetraene is sourced from PubChem (CID 177218837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).