1-(1-methylcyclohexyl)adamantane carbonate

C18H28O3-2 — CID 22447747

IUPAC1-(1-methylcyclohexyl)adamantane carbonate
SMILESCC1(C23CC4CC(CC(C4)C2)C3)CCCCC1.O=C([O-])[O-]
InChIInChI=1S/C17H28.CH2O3/c1-16(5-3-2-4-6-16)17-10-13-7-14(11-17)9-15(8-13)12-17;2-1(3)4/h13-15H,2-12H2,1H3;(H2,2,3,4)/p-2
InChIKeyGESSRMCVQKSDQZ-UHFFFAOYSA-L
MW292.42 g/mol
LogP2.73
Rot. Bonds1

About 1-(1-methylcyclohexyl)adamantane carbonate

1-(1-methylcyclohexyl)adamantane carbonate (PubChem CID 22447747) has the molecular formula C18H28O3-2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)adamantane carbonate.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)adamantane carbonate
PubChem CID22447747
Molecular FormulaC18H28O3-2
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-(1-methylcyclohexyl)adamantane carbonate
SMILESCC1(C23CC4CC(CC(C4)C2)C3)CCCCC1.O=C([O-])[O-]
InChIInChI=1S/C17H28.CH2O3/c1-16(5-3-2-4-6-16)17-10-13-7-14(11-17)9-15(8-13)12-17;2-1(3)4/h13-15H,2-12H2,1H3;(H2,2,3,4)/p-2
InChIKeyGESSRMCVQKSDQZ-UHFFFAOYSA-L
XLogP2.73
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-adamantyl-(1-methylcyclohexyl)methanone
CID 58708576
1-(adamantane-1-carbonylamino)cyclohexane-1-carboxylate
CID 7128717
[4-(adamantane-1-carbonyloxy)-1,4-dimethylcyclohexyl] adamantane-1-carboxylate
CID 118563493
1-(1-adamantyl)-N,N-dimethylcyclopentan-1-amine
CID 512345
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
4-(1-adamantyloxy)-2-[(1-methylcyclohexyl)oxycarbonylamino]-4-oxobutanoate
CID 140941495
calcium;cyclohexane;carbonate
CID 163512778
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
1-(1-isocyanatocyclohexyl)adamantane
CID 175283465
silver 2-hydroxyadamantane-1-carboxylate
CID 158834980
[2-(1-methylcyclohexyl)-2-adamantyl] 2-methylbutanoate
CID 122644604

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)adamantane carbonate?
The IUPAC name of 1-(1-methylcyclohexyl)adamantane carbonate (CID 22447747) is 1-(1-methylcyclohexyl)adamantane carbonate.
What is the SMILES notation for 1-(1-methylcyclohexyl)adamantane carbonate?
The canonical SMILES for 1-(1-methylcyclohexyl)adamantane carbonate is CC1(C23CC4CC(CC(C4)C2)C3)CCCCC1.O=C([O-])[O-].
What is the InChIKey of 1-(1-methylcyclohexyl)adamantane carbonate?
The InChIKey is GESSRMCVQKSDQZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H28.CH2O3/c1-16(5-3-2-4-6-16)17-10-13-7-14(11-17)9-15(8-13)12-17;2-1(3)4/h13-15H,2-12H2,1H3;(H2,2,3,4)/p-2.
What are the key properties of 1-(1-methylcyclohexyl)adamantane carbonate?
1-(1-methylcyclohexyl)adamantane carbonate has a molecular weight of 292.42 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)adamantane carbonate is sourced from PubChem (CID 22447747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).