1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one

C14H20O — CID 23241838

IUPAC1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one
SMILESCC(C)C12CCC3(C)C(C=CC(=O)C31)C2
InChIInChI=1S/C14H20O/c1-9(2)14-7-6-13(3)10(8-14)4-5-11(15)12(13)14/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyWRMPFHFPCNSJPX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.20
Rot. Bonds1

About 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one

1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one (PubChem CID 23241838) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one.

Molecular Properties

Compound Name1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one
PubChem CID23241838
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one
SMILESCC(C)C12CCC3(C)C(C=CC(=O)C31)C2
InChIInChI=1S/C14H20O/c1-9(2)14-7-6-13(3)10(8-14)4-5-11(15)12(13)14/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyWRMPFHFPCNSJPX-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one?
The IUPAC name of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one (CID 23241838) is 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one.
What is the SMILES notation for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one?
The canonical SMILES for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one is CC(C)C12CCC3(C)C(C=CC(=O)C31)C2.
What is the InChIKey of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one?
The InChIKey is WRMPFHFPCNSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)14-7-6-13(3)10(8-14)4-5-11(15)12(13)14/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one?
1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-propan-2-yltricyclo[4.4.0.02,8]dec-4-en-3-one is sourced from PubChem (CID 23241838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).