1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

C10H16O — CID 14525

IUPAC1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKeyLHXDLQBQYFFVNW-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

About 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one

1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 14525) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID14525
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKeyLHXDLQBQYFFVNW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Camphor
CID 2537
D-Camphor
CID 159055
Camphor, (-)-
CID 444294
alpha, beta-Thujone
CID 10931629
Thujone
CID 261491
beta-Thujone
CID 91456
(-)-Fenchone
CID 82229
(+)-Fenchone
CID 1201521
3-Thujanone
CID 11027
Camphoroquinone
CID 641916
Bornane-2,3-dione
CID 25208
1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
CID 90978

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one (CID 14525) is 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(C1)C(C)(C)C2=O.
What is the InChIKey of 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is LHXDLQBQYFFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3.
What are the key properties of 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one?
1,3,3-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 14525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).