1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one

C19H34O — CID 67693679

IUPAC1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one
SMILESCC1(C)CCCC1(C)CC(=O)CC1(C)CCCC1(C)C
InChIInChI=1S/C19H34O/c1-16(2)9-7-11-18(16,5)13-15(20)14-19(6)12-8-10-17(19,3)4/h7-14H2,1-6H3
InChIKeyLUTKTOHGYZHKRH-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.77
Rot. Bonds4

About 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one

1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one (PubChem CID 67693679) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one
PubChem CID67693679
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one
SMILESCC1(C)CCCC1(C)CC(=O)CC1(C)CCCC1(C)C
InChIInChI=1S/C19H34O/c1-16(2)9-7-11-18(16,5)13-15(20)14-19(6)12-8-10-17(19,3)4/h7-14H2,1-6H3
InChIKeyLUTKTOHGYZHKRH-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one?
The IUPAC name of 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one (CID 67693679) is 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one.
What is the SMILES notation for 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one?
The canonical SMILES for 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one is CC1(C)CCCC1(C)CC(=O)CC1(C)CCCC1(C)C.
What is the InChIKey of 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one?
The InChIKey is LUTKTOHGYZHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-16(2)9-7-11-18(16,5)13-15(20)14-19(6)12-8-10-17(19,3)4/h7-14H2,1-6H3.
What are the key properties of 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one?
1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one has a molecular weight of 278.48 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,2,2-trimethylcyclopentyl)propan-2-one is sourced from PubChem (CID 67693679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).