chloro (2-methyl-2-adamantyl) carbonate

C12H17ClO3 — CID 166021529

IUPACchloro (2-methyl-2-adamantyl) carbonate
SMILESCC1(OC(=O)OCl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17ClO3/c1-12(15-11(14)16-13)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3
InChIKeyJFXBOMGRORHYMM-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.51
Rot. Bonds1

About chloro (2-methyl-2-adamantyl) carbonate

chloro (2-methyl-2-adamantyl) carbonate (PubChem CID 166021529) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is chloro (2-methyl-2-adamantyl) carbonate.

Molecular Properties

Compound Namechloro (2-methyl-2-adamantyl) carbonate
PubChem CID166021529
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Namechloro (2-methyl-2-adamantyl) carbonate
SMILESCC1(OC(=O)OCl)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17ClO3/c1-12(15-11(14)16-13)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3
InChIKeyJFXBOMGRORHYMM-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chloro (2-methyl-2-adamantyl) carbonate?
The IUPAC name of chloro (2-methyl-2-adamantyl) carbonate (CID 166021529) is chloro (2-methyl-2-adamantyl) carbonate.
What is the SMILES notation for chloro (2-methyl-2-adamantyl) carbonate?
The canonical SMILES for chloro (2-methyl-2-adamantyl) carbonate is CC1(OC(=O)OCl)C2CC3CC(C2)CC1C3.
What is the InChIKey of chloro (2-methyl-2-adamantyl) carbonate?
The InChIKey is JFXBOMGRORHYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-12(15-11(14)16-13)9-3-7-2-8(5-9)6-10(12)4-7/h7-10H,2-6H2,1H3.
What are the key properties of chloro (2-methyl-2-adamantyl) carbonate?
chloro (2-methyl-2-adamantyl) carbonate has a molecular weight of 244.72 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro (2-methyl-2-adamantyl) carbonate is sourced from PubChem (CID 166021529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).