1-adamantyl-(1-methylcyclohexyl)methanone

C18H28O — CID 58708576

IUPAC1-adamantyl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1
InChIInChI=1S/C18H28O/c1-17(5-3-2-4-6-17)16(19)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3
InChIKeyNPMIAEDDAAEUJX-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.74
Rot. Bonds2

About 1-adamantyl-(1-methylcyclohexyl)methanone

1-adamantyl-(1-methylcyclohexyl)methanone (PubChem CID 58708576) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-adamantyl-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(1-methylcyclohexyl)methanone
PubChem CID58708576
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-adamantyl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1
InChIInChI=1S/C18H28O/c1-17(5-3-2-4-6-17)16(19)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3
InChIKeyNPMIAEDDAAEUJX-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(1-methylcyclohexyl)methanone?
The IUPAC name of 1-adamantyl-(1-methylcyclohexyl)methanone (CID 58708576) is 1-adamantyl-(1-methylcyclohexyl)methanone.
What is the SMILES notation for 1-adamantyl-(1-methylcyclohexyl)methanone?
The canonical SMILES for 1-adamantyl-(1-methylcyclohexyl)methanone is CC1(C(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1.
What is the InChIKey of 1-adamantyl-(1-methylcyclohexyl)methanone?
The InChIKey is NPMIAEDDAAEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-17(5-3-2-4-6-17)16(19)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3.
What are the key properties of 1-adamantyl-(1-methylcyclohexyl)methanone?
1-adamantyl-(1-methylcyclohexyl)methanone has a molecular weight of 260.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 58708576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).