2-adamantyloxy carbonochloridate

C11H15ClO3 — CID 22417249

IUPAC2-adamantyloxy carbonochloridate
SMILESO=C(Cl)OOC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15ClO3/c12-11(13)15-14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyCLECJZXNADHFRY-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.12
Rot. Bonds2

About 2-adamantyloxy carbonochloridate

2-adamantyloxy carbonochloridate (PubChem CID 22417249) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-adamantyloxy carbonochloridate.

Molecular Properties

Compound Name2-adamantyloxy carbonochloridate
PubChem CID22417249
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-adamantyloxy carbonochloridate
SMILESO=C(Cl)OOC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H15ClO3/c12-11(13)15-14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyCLECJZXNADHFRY-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyloxy carbonochloridate?
The IUPAC name of 2-adamantyloxy carbonochloridate (CID 22417249) is 2-adamantyloxy carbonochloridate.
What is the SMILES notation for 2-adamantyloxy carbonochloridate?
The canonical SMILES for 2-adamantyloxy carbonochloridate is O=C(Cl)OOC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyloxy carbonochloridate?
The InChIKey is CLECJZXNADHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c12-11(13)15-14-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2.
What are the key properties of 2-adamantyloxy carbonochloridate?
2-adamantyloxy carbonochloridate has a molecular weight of 230.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyloxy carbonochloridate is sourced from PubChem (CID 22417249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).