6-cyclohexyl-3-hexan-3-yloxan-2-one

C17H30O2 — CID 142947610

IUPAC6-cyclohexyl-3-hexan-3-yloxan-2-one
SMILESCCCC(CC)C1CCC(C2CCCCC2)OC1=O
InChIInChI=1S/C17H30O2/c1-3-8-13(4-2)15-11-12-16(19-17(15)18)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3
InChIKeyXFZMKEACCYFBFA-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.71
Rot. Bonds5

About 6-cyclohexyl-3-hexan-3-yloxan-2-one

6-cyclohexyl-3-hexan-3-yloxan-2-one (PubChem CID 142947610) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 6-cyclohexyl-3-hexan-3-yloxan-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3-hexan-3-yloxan-2-one
PubChem CID142947610
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name6-cyclohexyl-3-hexan-3-yloxan-2-one
SMILESCCCC(CC)C1CCC(C2CCCCC2)OC1=O
InChIInChI=1S/C17H30O2/c1-3-8-13(4-2)15-11-12-16(19-17(15)18)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3
InChIKeyXFZMKEACCYFBFA-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-propan-2-yl-6-propyloxan-2-one
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3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
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2-(1-hydroxybutyl)cycloheptan-1-one
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-hexan-3-yloxan-2-one?
The IUPAC name of 6-cyclohexyl-3-hexan-3-yloxan-2-one (CID 142947610) is 6-cyclohexyl-3-hexan-3-yloxan-2-one.
What is the SMILES notation for 6-cyclohexyl-3-hexan-3-yloxan-2-one?
The canonical SMILES for 6-cyclohexyl-3-hexan-3-yloxan-2-one is CCCC(CC)C1CCC(C2CCCCC2)OC1=O.
What is the InChIKey of 6-cyclohexyl-3-hexan-3-yloxan-2-one?
The InChIKey is XFZMKEACCYFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-8-13(4-2)15-11-12-16(19-17(15)18)14-9-6-5-7-10-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 6-cyclohexyl-3-hexan-3-yloxan-2-one?
6-cyclohexyl-3-hexan-3-yloxan-2-one has a molecular weight of 266.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-hexan-3-yloxan-2-one is sourced from PubChem (CID 142947610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).