2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one

C17H30O2 — CID 59143519

IUPAC2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(CC1CC1)OCC1CCCC1
InChIInChI=1S/C17H30O2/c1-17(2,3)11-15(18)16(10-13-8-9-13)19-12-14-6-4-5-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyALEGGTTVWWWHCB-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.37
Rot. Bonds7

About 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one

2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one (PubChem CID 59143519) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
PubChem CID59143519
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(CC1CC1)OCC1CCCC1
InChIInChI=1S/C17H30O2/c1-17(2,3)11-15(18)16(10-13-8-9-13)19-12-14-6-4-5-7-14/h13-14,16H,4-12H2,1-3H3
InChIKeyALEGGTTVWWWHCB-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one?
The IUPAC name of 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one (CID 59143519) is 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one is CC(C)(C)CC(=O)C(CC1CC1)OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one?
The InChIKey is ALEGGTTVWWWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-17(2,3)11-15(18)16(10-13-8-9-13)19-12-14-6-4-5-7-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one?
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one has a molecular weight of 266.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one is sourced from PubChem (CID 59143519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).