6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol

C11H17NO3 — CID 174744515

IUPAC6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol
SMILESCC12CC3CC(O)(CC(C1)C3/C=N\O)O2
InChIInChI=1S/C11H17NO3/c1-10-2-7-4-11(13,15-10)5-8(3-10)9(7)6-12-14/h6-9,13-14H,2-5H2,1H3/b12-6-
InChIKeyRPCZSQFUBXZHKA-SDQBBNPISA-N
MW211.26 g/mol
LogP1.36
Rot. Bonds1

About 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol

6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol (PubChem CID 174744515) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol.

Molecular Properties

Compound Name6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol
PubChem CID174744515
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol
SMILESCC12CC3CC(O)(CC(C1)C3/C=N\O)O2
InChIInChI=1S/C11H17NO3/c1-10-2-7-4-11(13,15-10)5-8(3-10)9(7)6-12-14/h6-9,13-14H,2-5H2,1H3/b12-6-
InChIKeyRPCZSQFUBXZHKA-SDQBBNPISA-N
XLogP1.36
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol?
The IUPAC name of 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol (CID 174744515) is 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol.
What is the SMILES notation for 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol?
The canonical SMILES for 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol is CC12CC3CC(O)(CC(C1)C3/C=N\O)O2.
What is the InChIKey of 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol?
The InChIKey is RPCZSQFUBXZHKA-SDQBBNPISA-N. The full InChI is InChI=1S/C11H17NO3/c1-10-2-7-4-11(13,15-10)5-8(3-10)9(7)6-12-14/h6-9,13-14H,2-5H2,1H3/b12-6-.
What are the key properties of 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol?
6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-hydroxyiminomethyl]-3-methyl-2-oxatricyclo[3.3.1.13,7]decan-1-ol is sourced from PubChem (CID 174744515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).