bis(1,2,2,3-tetramethylcyclopentyl)methanone

C19H34O — CID 122235704

IUPACbis(1,2,2,3-tetramethylcyclopentyl)methanone
SMILESCC1CCC(C)(C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C19H34O/c1-13-9-11-18(7,16(13,3)4)15(20)19(8)12-10-14(2)17(19,5)6/h13-14H,9-12H2,1-8H3
InChIKeySXAAHJUYFJNVIY-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.48
Rot. Bonds2

About bis(1,2,2,3-tetramethylcyclopentyl)methanone

bis(1,2,2,3-tetramethylcyclopentyl)methanone (PubChem CID 122235704) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is bis(1,2,2,3-tetramethylcyclopentyl)methanone.

Molecular Properties

Compound Namebis(1,2,2,3-tetramethylcyclopentyl)methanone
PubChem CID122235704
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Namebis(1,2,2,3-tetramethylcyclopentyl)methanone
SMILESCC1CCC(C)(C(=O)C2(C)CCC(C)C2(C)C)C1(C)C
InChIInChI=1S/C19H34O/c1-13-9-11-18(7,16(13,3)4)15(20)19(8)12-10-14(2)17(19,5)6/h13-14H,9-12H2,1-8H3
InChIKeySXAAHJUYFJNVIY-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Camphor
CID 2537
D-Camphor
CID 159055
(+-)-Fenchone
CID 14525
Camphor, (-)-
CID 444294
(-)-Fenchone
CID 82229
(+)-Fenchone
CID 1201521
Camphenilone
CID 93073
alpha-Fenchocamphorone
CID 550030
Npc54264
CID 9543187
5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one
CID 376006
(1R)-Camphor
CID 230921
Ethanone, 1-(2,3-dimethylbicyclo[2.2.1]hept-2-yl)-
CID 20829148

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,3-tetramethylcyclopentyl)methanone?
The IUPAC name of bis(1,2,2,3-tetramethylcyclopentyl)methanone (CID 122235704) is bis(1,2,2,3-tetramethylcyclopentyl)methanone.
What is the SMILES notation for bis(1,2,2,3-tetramethylcyclopentyl)methanone?
The canonical SMILES for bis(1,2,2,3-tetramethylcyclopentyl)methanone is CC1CCC(C)(C(=O)C2(C)CCC(C)C2(C)C)C1(C)C.
What is the InChIKey of bis(1,2,2,3-tetramethylcyclopentyl)methanone?
The InChIKey is SXAAHJUYFJNVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-13-9-11-18(7,16(13,3)4)15(20)19(8)12-10-14(2)17(19,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of bis(1,2,2,3-tetramethylcyclopentyl)methanone?
bis(1,2,2,3-tetramethylcyclopentyl)methanone has a molecular weight of 278.48 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,3-tetramethylcyclopentyl)methanone is sourced from PubChem (CID 122235704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).