2,3,4-trimethylcyclohept-2-en-1-one

C10H16O — CID 154209832

IUPAC2,3,4-trimethylcyclohept-2-en-1-one
SMILESCC1=C(C)C(C)CCCC1=O
InChIInChI=1S/C10H16O/c1-7-5-4-6-10(11)9(3)8(7)2/h7H,4-6H2,1-3H3
InChIKeyRMPPIDSAOYPLLW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds

About 2,3,4-trimethylcyclohept-2-en-1-one

2,3,4-trimethylcyclohept-2-en-1-one (PubChem CID 154209832) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,4-trimethylcyclohept-2-en-1-one.

Molecular Properties

Compound Name2,3,4-trimethylcyclohept-2-en-1-one
PubChem CID154209832
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3,4-trimethylcyclohept-2-en-1-one
SMILESCC1=C(C)C(C)CCCC1=O
InChIInChI=1S/C10H16O/c1-7-5-4-6-10(11)9(3)8(7)2/h7H,4-6H2,1-3H3
InChIKeyRMPPIDSAOYPLLW-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylcyclohept-2-en-1-one?
The IUPAC name of 2,3,4-trimethylcyclohept-2-en-1-one (CID 154209832) is 2,3,4-trimethylcyclohept-2-en-1-one.
What is the SMILES notation for 2,3,4-trimethylcyclohept-2-en-1-one?
The canonical SMILES for 2,3,4-trimethylcyclohept-2-en-1-one is CC1=C(C)C(C)CCCC1=O.
What is the InChIKey of 2,3,4-trimethylcyclohept-2-en-1-one?
The InChIKey is RMPPIDSAOYPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-4-6-10(11)9(3)8(7)2/h7H,4-6H2,1-3H3.
What are the key properties of 2,3,4-trimethylcyclohept-2-en-1-one?
2,3,4-trimethylcyclohept-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylcyclohept-2-en-1-one is sourced from PubChem (CID 154209832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).