(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C15H24O — CID 59915106

IUPAC(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)/C=C1\C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C15H24O/c1-13(2,3)9-10-11-7-8-15(6,12(10)16)14(11,4)5/h9,11H,7-8H2,1-6H3/b10-9-
InChIKeyVHRNWPVMUNGMIF-KTKRTIGZSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

About (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 59915106) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID59915106
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)/C=C1\C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C15H24O/c1-13(2,3)9-10-11-7-8-15(6,12(10)16)14(11,4)5/h9,11H,7-8H2,1-6H3/b10-9-
InChIKeyVHRNWPVMUNGMIF-KTKRTIGZSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 59915106) is (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC(C)(C)/C=C1\C(=O)C2(C)CCC1C2(C)C.
What is the InChIKey of (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is VHRNWPVMUNGMIF-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2,3)9-10-11-7-8-15(6,12(10)16)14(11,4)5/h9,11H,7-8H2,1-6H3/b10-9-.
What are the key properties of (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 59915106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).