1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one

C20H36O — CID 59143646

IUPAC1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one
SMILESCC(C)(C)CC(=O)C(CCC1CCCC1)CC1CCCC1
InChIInChI=1S/C20H36O/c1-20(2,3)15-19(21)18(14-17-10-6-7-11-17)13-12-16-8-4-5-9-16/h16-18H,4-15H2,1-3H3
InChIKeyHYUFBHOPNMWVRP-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.16
Rot. Bonds7

About 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one

1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one (PubChem CID 59143646) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one
PubChem CID59143646
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one
SMILESCC(C)(C)CC(=O)C(CCC1CCCC1)CC1CCCC1
InChIInChI=1S/C20H36O/c1-20(2,3)15-19(21)18(14-17-10-6-7-11-17)13-12-16-8-4-5-9-16/h16-18H,4-15H2,1-3H3
InChIKeyHYUFBHOPNMWVRP-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one?
The IUPAC name of 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one (CID 59143646) is 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one.
What is the SMILES notation for 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one?
The canonical SMILES for 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one is CC(C)(C)CC(=O)C(CCC1CCCC1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one?
The InChIKey is HYUFBHOPNMWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-20(2,3)15-19(21)18(14-17-10-6-7-11-17)13-12-16-8-4-5-9-16/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one?
1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one has a molecular weight of 292.51 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(cyclopentylmethyl)-6,6-dimethylheptan-4-one is sourced from PubChem (CID 59143646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).