6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one

C14H20O — CID 101414744

IUPAC6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one
SMILESCC1=C2CC(=O)CC23CCC(C3)C1(C)C
InChIInChI=1S/C14H20O/c1-9-12-6-11(15)8-14(12)5-4-10(7-14)13(9,2)3/h10H,4-8H2,1-3H3
InChIKeyDAMIJVCPGKGSRX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.49
Rot. Bonds

About 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one

6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one (PubChem CID 101414744) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one.

Molecular Properties

Compound Name6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one
PubChem CID101414744
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one
SMILESCC1=C2CC(=O)CC23CCC(C3)C1(C)C
InChIInChI=1S/C14H20O/c1-9-12-6-11(15)8-14(12)5-4-10(7-14)13(9,2)3/h10H,4-8H2,1-3H3
InChIKeyDAMIJVCPGKGSRX-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one?
The IUPAC name of 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one (CID 101414744) is 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one.
What is the SMILES notation for 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one?
The canonical SMILES for 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one is CC1=C2CC(=O)CC23CCC(C3)C1(C)C.
What is the InChIKey of 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one?
The InChIKey is DAMIJVCPGKGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-12-6-11(15)8-14(12)5-4-10(7-14)13(9,2)3/h10H,4-8H2,1-3H3.
What are the key properties of 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one?
6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one has a molecular weight of 204.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethyltricyclo[6.2.1.01,5]undec-5-en-3-one is sourced from PubChem (CID 101414744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).