1-(1-adamantyl)propan-2-one;methane

C14H24O — CID 157057031

IUPAC1-(1-adamantyl)propan-2-one;methane
SMILESC.CC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O.CH4/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13;/h10-12H,2-8H2,1H3;1H4
InChIKeyAAWMCVMYEMXJFK-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds2

About 1-(1-adamantyl)propan-2-one;methane

1-(1-adamantyl)propan-2-one;methane (PubChem CID 157057031) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(1-adamantyl)propan-2-one;methane.

Molecular Properties

Compound Name1-(1-adamantyl)propan-2-one;methane
PubChem CID157057031
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(1-adamantyl)propan-2-one;methane
SMILESC.CC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O.CH4/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13;/h10-12H,2-8H2,1H3;1H4
InChIKeyAAWMCVMYEMXJFK-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)propan-2-one;methane?
The IUPAC name of 1-(1-adamantyl)propan-2-one;methane (CID 157057031) is 1-(1-adamantyl)propan-2-one;methane.
What is the SMILES notation for 1-(1-adamantyl)propan-2-one;methane?
The canonical SMILES for 1-(1-adamantyl)propan-2-one;methane is C.CC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)propan-2-one;methane?
The InChIKey is AAWMCVMYEMXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH4/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13;/h10-12H,2-8H2,1H3;1H4.
What are the key properties of 1-(1-adamantyl)propan-2-one;methane?
1-(1-adamantyl)propan-2-one;methane has a molecular weight of 208.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)propan-2-one;methane is sourced from PubChem (CID 157057031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).