1,2-dicyclohexyl-2-methoxyethanone

C15H26O2 — CID 116750886

IUPAC1,2-dicyclohexyl-2-methoxyethanone
SMILESCOC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-13,15H,2-11H2,1H3
InChIKeyHQSBCBUJOWHPGJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.73
Rot. Bonds4

About 1,2-dicyclohexyl-2-methoxyethanone

1,2-dicyclohexyl-2-methoxyethanone (PubChem CID 116750886) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2-dicyclohexyl-2-methoxyethanone.

Molecular Properties

Compound Name1,2-dicyclohexyl-2-methoxyethanone
PubChem CID116750886
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,2-dicyclohexyl-2-methoxyethanone
SMILESCOC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-13,15H,2-11H2,1H3
InChIKeyHQSBCBUJOWHPGJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-2-methoxyethanone?
The IUPAC name of 1,2-dicyclohexyl-2-methoxyethanone (CID 116750886) is 1,2-dicyclohexyl-2-methoxyethanone.
What is the SMILES notation for 1,2-dicyclohexyl-2-methoxyethanone?
The canonical SMILES for 1,2-dicyclohexyl-2-methoxyethanone is COC(C(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-2-methoxyethanone?
The InChIKey is HQSBCBUJOWHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1,2-dicyclohexyl-2-methoxyethanone?
1,2-dicyclohexyl-2-methoxyethanone has a molecular weight of 238.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-2-methoxyethanone is sourced from PubChem (CID 116750886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).