3-cycloheptyloxy-2,2-diethylcyclobutan-1-one

C15H26O2 — CID 66367250

IUPAC3-cycloheptyloxy-2,2-diethylcyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC1CCCCCC1
InChIInChI=1S/C15H26O2/c1-3-15(4-2)13(16)11-14(15)17-12-9-7-5-6-8-10-12/h12,14H,3-11H2,1-2H3
InChIKeyBCYVMLJCKACHHL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.87
Rot. Bonds4

About 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one

3-cycloheptyloxy-2,2-diethylcyclobutan-1-one (PubChem CID 66367250) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one.

Molecular Properties

Compound Name3-cycloheptyloxy-2,2-diethylcyclobutan-1-one
PubChem CID66367250
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-cycloheptyloxy-2,2-diethylcyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC1CCCCCC1
InChIInChI=1S/C15H26O2/c1-3-15(4-2)13(16)11-14(15)17-12-9-7-5-6-8-10-12/h12,14H,3-11H2,1-2H3
InChIKeyBCYVMLJCKACHHL-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one?
The IUPAC name of 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one (CID 66367250) is 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one.
What is the SMILES notation for 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one?
The canonical SMILES for 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one is CCC1(CC)C(=O)CC1OC1CCCCCC1.
What is the InChIKey of 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one?
The InChIKey is BCYVMLJCKACHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-15(4-2)13(16)11-14(15)17-12-9-7-5-6-8-10-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one?
3-cycloheptyloxy-2,2-diethylcyclobutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyloxy-2,2-diethylcyclobutan-1-one is sourced from PubChem (CID 66367250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).