(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H26O2 — CID 79921605

IUPAC(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H26O2/c1-12-3-5-13(6-4-12)15(17)14-7-10-18-16(11-14)8-2-9-16/h12-14H,2-11H2,1H3
InChIKeyKAZNWVFNZXDTKZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.73
Rot. Bonds2

About (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79921605) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79921605
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H26O2/c1-12-3-5-13(6-4-12)15(17)14-7-10-18-16(11-14)8-2-9-16/h12-14H,2-11H2,1H3
InChIKeyKAZNWVFNZXDTKZ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79921605) is (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is KAZNWVFNZXDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-3-5-13(6-4-12)15(17)14-7-10-18-16(11-14)8-2-9-16/h12-14H,2-11H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 250.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79921605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).