1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one

C16H26O2 — CID 66368096

IUPAC1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one
SMILESCCC1CCCC(OC2CC(=O)C23CCCC3)C1
InChIInChI=1S/C16H26O2/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h12-13,15H,2-11H2,1H3
InChIKeyGHEBLMFNHGJVTA-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds3

About 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one

1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one (PubChem CID 66368096) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one
PubChem CID66368096
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one
SMILESCCC1CCCC(OC2CC(=O)C23CCCC3)C1
InChIInChI=1S/C16H26O2/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h12-13,15H,2-11H2,1H3
InChIKeyGHEBLMFNHGJVTA-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one?
The IUPAC name of 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one (CID 66368096) is 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one is CCC1CCCC(OC2CC(=O)C23CCCC3)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one?
The InChIKey is GHEBLMFNHGJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-12-6-5-7-13(10-12)18-15-11-14(17)16(15)8-3-4-9-16/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one?
1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one has a molecular weight of 250.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)oxyspiro[3.4]octan-3-one is sourced from PubChem (CID 66368096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).