1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one

C17H28O2 — CID 66368656

IUPAC1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one
SMILESCC1CCC(OC2CC(=O)C23CCCCCC3)CC1
InChIInChI=1S/C17H28O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h13-14,16H,2-12H2,1H3
InChIKeyXROSTIDWXLHXGR-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.26
Rot. Bonds2

About 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one

1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one (PubChem CID 66368656) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one
PubChem CID66368656
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one
SMILESCC1CCC(OC2CC(=O)C23CCCCCC3)CC1
InChIInChI=1S/C17H28O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h13-14,16H,2-12H2,1H3
InChIKeyXROSTIDWXLHXGR-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one?
The IUPAC name of 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one (CID 66368656) is 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one?
The canonical SMILES for 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one is CC1CCC(OC2CC(=O)C23CCCCCC3)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one?
The InChIKey is XROSTIDWXLHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-13-6-8-14(9-7-13)19-16-12-15(18)17(16)10-4-2-3-5-11-17/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one?
1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one has a molecular weight of 264.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxyspiro[3.6]decan-3-one is sourced from PubChem (CID 66368656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).