2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one

C15H26O2 — CID 62740751

IUPAC2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CC2CCOCC2)C1
InChIInChI=1S/C15H26O2/c1-11(2)13-3-4-15(16)14(10-13)9-12-5-7-17-8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyBGZPAPWGVLIASL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds3

About 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one

2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one (PubChem CID 62740751) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
PubChem CID62740751
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CC2CCOCC2)C1
InChIInChI=1S/C15H26O2/c1-11(2)13-3-4-15(16)14(10-13)9-12-5-7-17-8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyBGZPAPWGVLIASL-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one (CID 62740751) is 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CC2CCOCC2)C1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The InChIKey is BGZPAPWGVLIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)13-3-4-15(16)14(10-13)9-12-5-7-17-8-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 62740751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).