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

C17H28O2 — CID 79922084

IUPAC(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H28O2/c1-2-13-4-6-14(7-5-13)16(18)15-8-11-19-17(12-15)9-3-10-17/h13-15H,2-12H2,1H3
InChIKeyDFPZNUONYYGVPR-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.12
Rot. Bonds3

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

(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79922084) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79922084
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C17H28O2/c1-2-13-4-6-14(7-5-13)16(18)15-8-11-19-17(12-15)9-3-10-17/h13-15H,2-12H2,1H3
InChIKeyDFPZNUONYYGVPR-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79922084) is (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CCC1CCC(C(=O)C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is DFPZNUONYYGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-13-4-6-14(7-5-13)16(18)15-8-11-19-17(12-15)9-3-10-17/h13-15H,2-12H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).