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

C15H24O3 — CID 66366854

IUPAC1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one
SMILESCOC1CCCC(OC2CC(=O)C23CCCC3)C1
InChIInChI=1S/C15H24O3/c1-17-11-5-4-6-12(9-11)18-14-10-13(16)15(14)7-2-3-8-15/h11-12,14H,2-10H2,1H3
InChIKeyCOZKZXXYNGLOMH-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.86
Rot. Bonds3

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

1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one (PubChem CID 66366854) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one
PubChem CID66366854
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one
SMILESCOC1CCCC(OC2CC(=O)C23CCCC3)C1
InChIInChI=1S/C15H24O3/c1-17-11-5-4-6-12(9-11)18-14-10-13(16)15(14)7-2-3-8-15/h11-12,14H,2-10H2,1H3
InChIKeyCOZKZXXYNGLOMH-UHFFFAOYSA-N
XLogP2.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one?
The IUPAC name of 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one (CID 66366854) is 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one.
What is the SMILES notation for 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one?
The canonical SMILES for 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one is COC1CCCC(OC2CC(=O)C23CCCC3)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one?
The InChIKey is COZKZXXYNGLOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-17-11-5-4-6-12(9-11)18-14-10-13(16)15(14)7-2-3-8-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one?
1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one has a molecular weight of 252.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)oxyspiro[3.4]octan-3-one is sourced from PubChem (CID 66366854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).